SCHEMBL13657976

SCHEMBL13657976

CC(C)(C)c1ccc(NCc2ccccc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ LMNA P02545 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ FABP1 P07148 1/20 0.53
▸ FABP6 P51161 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ NOS2 P35228 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ CXCR4 P61073 1/20 0.46

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
SCHEMBL18745740 0.88 ALDH1A1 (0.51) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL10331338 0.86 RAB9A (0.59) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL13757427 0.85 LMNA (0.54) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL13757445 0.80 NPC1 (0.74) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL19573445 0.79 FABP1 (0.51) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL11563461 0.78 NOS2 (0.58) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL12293177 0.78 HCAR3 (0.50) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL29580298 0.77 CXCR4 (0.74) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL13662122 0.77 FABP1 (0.56) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL27652089 0.75 FABP1 (0.54) SMN1; SMN2LMNARAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10875852-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-29 — — US disclosed
US-20190112302-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-04-18 — — US disclosed
US-20170320867-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-11-09 — — US disclosed
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 — — US disclosed
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 — — US disclosed
US-20160031872-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-02-04 — — US disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 — — US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 — — US disclosed
US-20140045813-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 — — 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-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 — — 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
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 (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-20140045813-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK SMN1; SMN2 4810/4885LMNA 3190/4885RAB9A 2803/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 SMN1; SMN2 1767/4885LMNA 4306/4885RAB9A 1936/4885
US-20170320867-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK SMN1; SMN2 4810/4885LMNA 3190/4885RAB9A 2803/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 SMN1; SMN2 2711/4885LMNA 4084/4885RAB9A 2387/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 SMN1; SMN2 2580/4885LMNA 4066/4885RAB9A 2282/4885
US-20160031872-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK SMN1; SMN2 4810/4885LMNA 3190/4885RAB9A 2803/4885
US-10875852-B2 Heteroaromatic compounds as BTK inhibitors BTK, SYK, LCK SMN1; SMN2 4810/4885LMNA 3190/4885RAB9A 2803/4885
US-20190112302-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK SMN1; SMN2 4810/4885LMNA 3190/4885RAB9A 2803/4885

“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.

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