SCHEMBL2118821

SCHEMBL2118821

Cc1cc(Nc2cc(Cl)nc(Sc3cc(F)c4nc(C)ccc4c3)n2)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AURKA O14965 10/20 0.32
AURKB Q96GD4 5/20 0.32
GSK3B P49841 3/20 0.32
SRC P12931 2/20 0.32
NTRK1 P04629 1/20 0.32
RXRA P19793 4/20 0.31
PPARG P37231 4/20 0.31
PPARA Q07869 4/20 0.31
RXRB P28702 3/20 0.31
RXRG P48443 3/20 0.30
PPARD Q03181 2/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL2957184 0.82 MEN1 (0.40) MEN1KMT2AGAASMN1; SMN2AURKA
SCHEMBL2713578 0.80 MEN1 (0.40) MEN1KMT2AGAASMN1; SMN2AURKA
SCHEMBL2614934 0.80 AURKB (0.48) AURKAAURKBSRCNTRK1
SCHEMBL3324249 0.80 MAPT (0.43) MEN1KMT2AGAASMN1; SMN2AURKA
SCHEMBL2614935 0.80 AURKA (0.42) AURKAAURKBSRCNTRK1
SCHEMBL13004231 0.79 AURKA (0.36) AURKAAURKBSRCNTRK1
SCHEMBL2614899 0.78 AURKB (0.45) AURKAAURKBSRCNTRK1
SCHEMBL2614900 0.78 AURKA (0.42) AURKAAURKBSRCNTRK1
SCHEMBL2117208 0.78 AURKA (0.46) AURKAAURKBSRCNTRK1
SCHEMBL61333 0.77 KMT2A (0.53) MEN1KMT2AGAASMN1; SMN2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130324725-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-12-05 US disclosed
US-8455507-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20120095014-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-19 US disclosed
US-20120095014-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-19 US disclosed
US-20120095014-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-19 US disclosed
EP-2146982-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-01-27 EP disclosed
WO-2008128009-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-23 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 (2 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-20120095014-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB MEN1 1554/4885KMT2A 773/4885GAA 1528/4885
US-20130324725-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB MEN1 1554/4885KMT2A 773/4885GAA 1528/4885

“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.