SCHEMBL3760446

SCHEMBL3760446

Nc1ccc(-n2nncc2-c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.71
ALDH1A1 P00352 3/20 0.71
HTT P42858 1/20 0.71
PTGS1 P23219 2/20 0.63
PTGS2 P35354 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
FLT3 P36888 3/20 0.53
MAPK9 P45984 2/20 0.53
MAPK10 P53779 2/20 0.53
RAC2 P15153 1/20 0.50
RAC3 P60763 1/20 0.50
CDC42 P60953 1/20 0.50
RAC1 P63000 1/20 0.50
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL11904310 0.93 TSHR (0.71) TSHRALDH1A1HTTPTGS1PTGS2
SCHEMBL1395472 0.89 TSHR (0.70) TSHRALDH1A1HTTPTGS1PTGS2
SCHEMBL2898123 0.84 FLT3 (0.73) TSHRALDH1A1HTTPTGS1PTGS2
SCHEMBL27825639 0.84 FLT3 (0.73) TSHRALDH1A1HTTPTGS1PTGS2
SCHEMBL28270531 0.84 PTGS1 (0.61) TSHRALDH1A1HTTPTGS1PTGS2
SCHEMBL27844667 0.83 TSHR (0.60) TSHRALDH1A1HTTPTGS1PTGS2
SCHEMBL12419436 0.80 PTGS1 (0.57) TSHRALDH1A1HTTPTGS1PTGS2
SCHEMBL3139534 0.80 L3MBTL1 (0.69) TSHRALDH1A1HTTPTGS1PTGS2
SCHEMBL28273933 0.77 FLT3 (0.69) TSHRALDH1A1HTTPTGS1PTGS2
SCHEMBL6953014 0.76 ALDH1A1 (0.58) TSHRALDH1A1PTGS1PTGS2CYP1A2

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 10 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
WO-2011020849-A1 CYTOHESIN INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT (DE) 2011-02-24 WO disclosed
EP-2286808-A1 Cytohesin inhibitors Rheinische Friedrich-Wilhelms Universität (DE) 2011-02-23 EP 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 TSHR 3853/4885ALDH1A1 4097/4885HTT 3261/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 TSHR 3853/4885ALDH1A1 4097/4885HTT 3261/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 TSHR 3853/4885ALDH1A1 4097/4885HTT 3261/4885

“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.