SCHEMBL4743183

SCHEMBL4743183

CCN(CC)c1nc(C(C)(C)C)cs1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
CCR4 P51679 6/20 0.38
LMNA P02545 3/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
UCHL1 P09936 1/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ELANE P08246 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31264247 0.85 ALDH1A1 (0.67) ALDH1A1HTR1AHTR2AHTR7CCR4
SCHEMBL15306567 0.83 ALDH1A1 (0.51) ALDH1A1HTR1AHTR2AHTR7CCR4
SCHEMBL8604306 0.82 ALDH1A1 (0.63) ALDH1A1HTR1AHTR2AHTR7CCR4
SCHEMBL13658019 0.78 ALDH1A1 (0.53) ALDH1A1HTR1AHTR2AHTR7CCR4
SCHEMBL685578 0.75 SMN1; SMN2 (0.43) ALDH1A1LMNASMN1; SMN2KDM4ENPC1
SCHEMBL8381528 0.75 ALDH1A1 (0.48) ALDH1A1HTR1AHTR2AHTR7CCR4
SCHEMBL17147861 0.74 ALDH1A1 (0.47) ALDH1A1HTR1AHTR2AHTR7CCR4
SCHEMBL23287640 0.72 ELANE (0.35) ALDH1A1ELANEKMT2AMEN1
SCHEMBL2628990 0.72 ELANE (0.38) ALDH1A1ELANEKMT2AMEN1
SCHEMBL9942631 0.72 ELANE (0.35) ALDH1A1ELANEKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 US disclosed
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2021-01-07 US disclosed
US-10675286-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2019-11-21 US disclosed
US-10329299-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 US disclosed
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 US disclosed
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICAL, INC. (US) 2013-01-17 US disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 US disclosed
US-20120187351-A1 COLORANT MULTIMER, COLORED CURABLE COMPOSITION, COLOR FILTER AND METHOD FOR PRODUCING THE SAME, AND SOLID-STATE IMAGE SENSOR, IMAGE DISPLAY DEVICE, LIQUID CRYSTAL DISPLAY DEVICE AND ORGANIC EL DISPLAY WITH THE COLOR FILTER FUJIFILM CORPORATION (JP) 2012-07-26 US disclosed
US-20120187351-A1 COLORANT MULTIMER, COLORED CURABLE COMPOSITION, COLOR FILTER AND METHOD FOR PRODUCING THE SAME, AND SOLID-STATE IMAGE SENSOR, IMAGE DISPLAY DEVICE, LIQUID CRYSTAL DISPLAY DEVICE AND ORGANIC EL DISPLAY WITH THE COLOR FILTER FUJIFILM CORPORATION (JP) 2012-07-26 US disclosed
US-8177861-B2 AZO pigment, pigment dispersion containing the AZO pigment, and coloring composition FUJIFILM CORPORATION (JP) 2012-05-15 US disclosed
US-8177861-B2 AZO pigment, pigment dispersion containing the AZO pigment, and coloring composition FUJIFILM CORPORATION (JP) 2012-05-15 US disclosed
US-20120021354-A1 COLORED CURABLE COMPOSITION, COLOR RESIST, INK-JET INK, COLOR FILTER AND METHOD FOR PRODUCING THE SAME, SOLID-STATE IMAGE PICKUP DEVICE, IMAGE DISPLAY DEVICE, LIQUID CRYSTAL DISPLAY, ORGANIC EL DISPLAY, AND COLORANT COMPOUND AND TAUTOMER THEREOF FUJIFILM CORPORATION (JP) 2012-01-26 US disclosed
US-20110021764-A1 AZO PIGMENT, PIGMENT DISPERSION CONTAINING THE AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed
US-20110021764-A1 AZO PIGMENT, PIGMENT DISPERSION CONTAINING THE AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10675286-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB ALDH1A1 3154/4885HTR1A 2793/4885HTR2A 2518/4885
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB ALDH1A1 2379/4885HTR1A 2580/4885HTR2A 2238/4885
US-20120187351-A1 COLORANT MULTIMER, COLORED CURABLE COMPOSITION, COLOR FILTER AND METHOD FOR PRODUCING THE SAME, AND SOLID-STATE IMAGE SENSOR, IMAGE DISPLAY DEVICE, LIQUID CRYSTAL DISPLAY DEVICE AND ORGANIC EL DISPLAY WITH THE COLOR FILTER RET, IK, PDCD11 ALDH1A1 2427/4885HTR1A 743/4885HTR2A 1906/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB ALDH1A1 2379/4885HTR1A 2580/4885HTR2A 2238/4885
US-10329299-B2 Heterocyclic compounds and uses thereof PIK3CA, AKT1, AKT2 ALDH1A1 1493/4885HTR1A 2877/4885HTR2A 2822/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB ALDH1A1 3154/4885HTR1A 2793/4885HTR2A 2518/4885
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ALDH1A1 3154/4885HTR1A 2793/4885HTR2A 2518/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ALDH1A1 3290/4885HTR1A 1172/4885HTR2A 1001/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ALDH1A1 3315/4885HTR1A 1197/4885HTR2A 1034/4885
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB ALDH1A1 2379/4885HTR1A 2580/4885HTR2A 2238/4885
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ALDH1A1 3154/4885HTR1A 2793/4885HTR2A 2518/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.