SCHEMBL10141504

SCHEMBL10141504

CC(C)c1cnn(CCN2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 4/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
ACHE P22303 1/20 0.36
KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL17789616 0.98 MEN1 (0.43) MEN1KMT2APSMB1PSMB5JAK2
SCHEMBL14725170 0.87 HTR7 (0.40) MEN1KMT2ASIGMAR1ALDH1A1LMNA
SCHEMBL14725169 0.85 KDM5B (0.35) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL12090079 0.85 KDM5B (0.47) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL25896854 0.85 KMT2A (0.36) MEN1KMT2APSMB1PSMB5HTT
SCHEMBL18925949 0.84 FGFR3 (0.40) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL15133217 0.81 KDM2B (0.42) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL17793165 0.79 HRH3 (0.41) JAK2JAK1TYK2JAK3HTT
SCHEMBL10141499 0.78 MAOB (0.34) JAK2JAK1TYK2JAK3KDM5B
SCHEMBL18948340 0.78 LTA4H (0.36) JAK2JAK1TYK2JAK3ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289835-A1 CDK INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2023-12-13 EP disclosed
US-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2022-06-21 US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 US disclosed
US-20160257691-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF Libertas Bio, Inc. 2016-09-08 US disclosed
US-9382277-B2 Pyrimido-pyridazinone compounds and methods of use thereof ASANA BIOSCIENCES, LLC (US) 2016-07-05 US disclosed
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 US disclosed
US-20140221315-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ENDO PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
US-8729079-B2 Pyrimido-pyridazinone compounds and methods of use thereof ENDO PHARMACEUTICALS INC. (US) 2014-05-20 US disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 US disclosed
US-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 US disclosed
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ENDO PHARMACEUTICALS INC (US) 2013-02-28 US disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 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 (8 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-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR MEN1 2298/4885KMT2A 2435/4885PSMB1 3110/4885
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 MEN1 3712/4885KMT2A 2852/4885PSMB1 2119/4885
US-20160257691-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS MEN1 2624/4885KMT2A 2493/4885PSMB1 3955/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 MEN1 3712/4885KMT2A 2852/4885PSMB1 2119/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR MEN1 2298/4885KMT2A 2435/4885PSMB1 3110/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 MEN1 3712/4885KMT2A 2852/4885PSMB1 2119/4885
US-20140221315-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS MEN1 2624/4885KMT2A 2493/4885PSMB1 3955/4885
US-20130053346-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS MEN1 2624/4885KMT2A 2493/4885PSMB1 3955/4885

“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.