SCHEMBL3753744

SCHEMBL3753744

O=C(O)N1CCN(c2cc(F)cc(-c3ccnc(Cl)n3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
TRPV1 Q8NER1 6/20 0.44
DGAT1 O75907 5/20 0.41
MAPK8 P45983 2/20 0.39
MAPK10 P53779 2/20 0.39
MAPK9 P45984 1/20 0.39
SCN9A Q15858 2/20 0.39
KMO O15229 2/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL3753570 0.84 MAPK8 (0.41) TRPV1DGAT1MAPK8MAPK10SCN9A
SCHEMBL3753329 0.84 CKS1B (0.45) FAAH
SCHEMBL3753552 0.81 CDK1 (0.44) FAAHMAPK8MAPK10MAPK9
SCHEMBL3758812 0.81 MAPK8 (0.56) MAPK8MAPK10MAPK9
SCHEMBL3746556 0.81 CAMK2D (0.47) MAPK8MAPK10MAPK9SCN9A
SCHEMBL3752333 0.80 ALK (0.41) MAPK8MAPK10MAPK9
SCHEMBL3762712 0.80 SYK (0.42) MAPK8MAPK10MAPK9SCN9A
SCHEMBL3754320 0.80 MAPK8 (0.40) MAPK8MAPK10MAPK9MGLL
SCHEMBL5390221 0.75 CA12 (0.46)
SCHEMBL28374207 0.73 KMO (0.41) FAAHKMO

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 FAAH 3753/4885TRPV1 4149/4885DGAT1 3168/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 FAAH 3753/4885TRPV1 4149/4885DGAT1 3168/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 FAAH 3753/4885TRPV1 4149/4885DGAT1 3168/4885

“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.