SCHEMBL3758184

SCHEMBL3758184

Cc1nc(C)n(-c2ccc(N)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK10 P53779 4/20 0.39
PDE4D Q08499 1/20 0.39
MAPK9 P45984 1/20 0.38
KEAP1 Q14145 1/20 0.37
TERT O14746 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL24359770 0.83 PDE10A (0.42) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL20320623 0.80 KMT2A (0.53) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL21893501 0.80 MAPK10 (0.46) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL18136489 0.79 SMN1; SMN2 (0.46) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL11075652 0.78 PTGS2 (0.43) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL20320622 0.76 BRAF (0.41) MAPTRAB9AL3MBTL1MAPK10MAPK9
SCHEMBL1825048 0.75 TDP1 (0.65) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL13936258 0.73 MAPK10 (0.40) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL1823842 0.72 LMNA (0.67) MAPTLMNAL3MBTL1PDE4DTDP1
SCHEMBL1824527 0.72 L3MBTL1 (0.53) NPC1MAPTRAB9ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564232-B1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2022-01-26 EP disclosed
US-10954216-B2 BMP-signal-inhibiting compound RIKEN (JP) 2021-03-23 US disclosed
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2019-11-07 US disclosed
EP-3564232-A1 BMP-SIGNAL-INHIBITING COMPOUND Riken (JP) 2019-11-06 EP disclosed
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO 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 (5 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-10954216-B2 BMP-signal-inhibiting compound BMP1, BMP2, BMP4 NPC1 2815/4885MAPT 4782/4885RAB9A 1809/4885
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND BMP1, BMP2, BMPR2 NPC1 2975/4885MAPT 4243/4885RAB9A 1632/4885
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 NPC1 2489/4885MAPT 1055/4885RAB9A 2773/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 NPC1 2489/4885MAPT 1055/4885RAB9A 2773/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 NPC1 2489/4885MAPT 1055/4885RAB9A 2773/4885

“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.