SCHEMBL4003048

SCHEMBL4003048

Nc1cccc(Nc2nccc(-c3cccc(NC(=O)c4ccco4)c3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.60
BCR P11274 10/20 0.60
SRC P12931 7/20 0.60
EGFR P00533 1/20 0.60
PRKACA P17612 1/20 0.60
PRKACG P22612 1/20 0.60
PRKACB P22694 1/20 0.60
ABL2 P42684 1/20 0.58
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
KMT2A Q03164 2/20 0.57
HTT P42858 2/20 0.57
JAK2 O60674 1/20 0.57
MAPK1 P28482 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CAMK2D Q13557 1/20 0.56
CYP1A2 P05177 1/20 0.55
GLA P06280 1/20 0.55

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
SCHEMBL3997662 0.92 ABL1 (0.59) ABL1BCRSRCEGFRPRKACA
SCHEMBL4000098 0.89 PLK1 (0.59) ABL1BCRSRCABL2KDM4E
SCHEMBL4006162 0.87 MTOR (0.58) ABL1BCRSRCKDM4EALDH1A1
SCHEMBL4004521 0.85 NPC1 (0.66) ABL1BCRSRCEGFRKDM4E
SCHEMBL4002797 0.84 ABL1 (0.74) ABL1BCRSRCEGFRPRKACA
SCHEMBL8349353 0.82 MAPK8 (0.71) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL2941787 0.81 ABL1 (0.75) ABL1BCRSRCEGFRPRKACA
SCHEMBL27116707 0.80 MAPT (0.57) ABL1BCRSRCABL2KDM4E
SCHEMBL823915 0.80 CAMK2D (0.82) ABL1BCRSRCEGFRPRKACA
SCHEMBL3647264 0.80 ALDH1A1 (0.68) ALDH1A1MEN1MAPTKMT2AHTT

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.