SCHEMBL3754370

SCHEMBL3754370

Cc1cc(C(=O)NC2CC2)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.57
SMYD3 Q9H7B4 4/20 0.54
GLA P06280 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPK11 Q15759 4/20 0.49
HSPB1 P04792 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL28079514 0.94 RAB9A (0.60) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL13575614 0.90 SMYD3 (0.53) MAPK14SMYD3GLANPC1RAB9A
SCHEMBL13575495 0.90 KDM1A (0.53) MAPK14SMYD3GLANPC1RAB9A
SCHEMBL3545889 0.89 NPC1 (0.48) MAPK14SMYD3GLANPC1RAB9A
SCHEMBL178414 0.87 MAPK14 (0.60) MAPK14SMYD3NPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL28078 0.86 MAPK14 (0.59) MAPK14SMYD3GLANPC1RAB9A
SCHEMBL13575587 0.85 NPC1 (0.54) MAPK14NPC1RAB9AKMT2AMEN1
SCHEMBL31603829 0.85 SMYD3 (0.57) MAPK14SMYD3NPC1RAB9AHPGD
SCHEMBL10282601 0.85 GLA (0.64) MAPK14GLANPC1RAB9AHPGD
SCHEMBL2948427 0.82 MAPK14 (0.58) MAPK14NPC1RAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPK14 38/4885SMYD3 2389/4885GLA 4791/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPK14 38/4885SMYD3 2389/4885GLA 4791/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPK14 38/4885SMYD3 2389/4885GLA 4791/4885

“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.