SCHEMBL3753570

SCHEMBL3753570

N#Cc1cc(-c2ccnc(Cl)n2)cc(N2CCN(C(=O)O)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.41
MAPK10 P53779 3/20 0.41
PIM1 P11309 1/20 0.39
DGAT1 O75907 1/20 0.39
SLC6A7 Q99884 2/20 0.38
EGLN2 Q96KS0 1/20 0.38
TRPV1 Q8NER1 3/20 0.37
CHRM4 P08173 2/20 0.36
GRM5 P41594 1/20 0.36
SCN9A Q15858 1/20 0.36
KMO O15229 1/20 0.36
PANK3 Q9H999 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
SCHEMBL3760202 0.85 EGLN2 (0.52) EGLN2
SCHEMBL3753744 0.84 FAAH (0.45) MAPK8MAPK10DGAT1TRPV1SCN9A
SCHEMBL16390733 0.84 SLC6A7 (0.39) MAPK8MAPK10PIM1SLC6A7CHRM4
SCHEMBL3748419 0.83 PDE4D (0.45) MAPK8MAPK10PIM1GRM5KMO
SCHEMBL3748861 0.82 MAPK8 (0.56) MAPK8MAPK10
SCHEMBL3752938 0.79 AR (0.46) MAPK8MAPK10PIM1GRM5
SCHEMBL3753467 0.77 LRRK2 (0.42) MAPK8MAPK10GRM5
SCHEMBL3764962 0.73 MAPK8 (0.61) MAPK8MAPK10
SCHEMBL13989128 0.71 GRM5 (0.48) GRM5KMO
SCHEMBL3753494 0.70 FFAR4 (0.39) EGLN2CHRM4PANK3

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 MAPK8 33/4885MAPK10 56/4885PIM1 370/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPK8 33/4885MAPK10 56/4885PIM1 370/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPK8 33/4885MAPK10 56/4885PIM1 370/4885

“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.