SCHEMBL3997662

SCHEMBL3997662

Nc1cccc(Nc2nccc(-c3ccc(NC(=O)c4ccco4)cc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.59
BCR P11274 4/20 0.59
SRC P12931 3/20 0.59
EGFR P00533 1/20 0.57
PRKACA P17612 1/20 0.57
PRKACG P22612 1/20 0.57
PRKACB P22694 1/20 0.57
CDK5 Q00535 1/20 0.57
JAK2 O60674 6/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
PTPN1 P18031 2/20 0.54
ABL2 P42684 1/20 0.53
JAK3 P52333 1/20 0.52
PLK1 P53350 1/20 0.52
PTPN2 P17706 1/20 0.51
PTPN6 P29350 1/20 0.51
PTPN11 Q06124 1/20 0.51

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
SCHEMBL4003048 0.92 ABL1 (0.60) ABL1BCRSRCEGFRPRKACA
SCHEMBL4381980 0.83 JAK2 (0.74) ABL1BCRSRCEGFRPRKACA
SCHEMBL8351775 0.82 MAPK8 (0.69) EGFRJAK2NPC1RAB9AMEN1
SCHEMBL4000628 0.81 ABL1 (0.69) ABL1BCRSRCEGFRPRKACA
SCHEMBL4000098 0.81 PLK1 (0.59) ABL1BCRSRCJAK2NPC1
SCHEMBL4006162 0.79 MTOR (0.58) ABL1BCRSRCJAK2MEN1
SCHEMBL14338286 0.79 JAK2 (0.56) ABL1BCRSRCEGFRPRKACA
SCHEMBL14338281 0.79 JAK2 (0.56) ABL1BCRSRCEGFRPRKACA
SCHEMBL2944432 0.79 ABL1 (0.82) ABL1BCRSRCEGFRPRKACA
SCHEMBL2944431 0.79 CAMKK2 (0.77) ABL1BCRSRCEGFRPRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069314-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 EP claimed
US-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. 2008-05-29 US claimed
WO-2008033834-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO claimed
EP-2069314-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 EP disclosed
US-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. 2008-05-29 US disclosed
WO-2008033834-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed
WO-2004041789-A1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 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 (1 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-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, TK1 ABL1 131/4885BCR 35/4885SRC 146/4885

“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.