SCHEMBL4002108

SCHEMBL4002108

O=C(Nc1ccc(-c2ccnc(Nc3cccc(O)c3)n2)cc1)c1cccs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.71
SRC P12931 5/20 0.71
PDGFRB P09619 3/20 0.71
PDGFRA P16234 3/20 0.71
JAK2 O60674 5/20 0.56
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
JAK3 P52333 1/20 0.52
BCR P11274 4/20 0.51
PRKCA P17252 3/20 0.51
PRKCD Q05655 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 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
SCHEMBL4000628 0.89 ABL1 (0.69) ABL1SRCPDGFRBPDGFRAJAK2
SCHEMBL3523274 0.86 ABL1 (0.65) ABL1SRCPDGFRBPDGFRAJAK2
SCHEMBL1762 0.83 ABL1 (1.00) ABL1SRCPDGFRBPDGFRASMN1; SMN2
SCHEMBL8084736 0.82 JAK2 (0.76) JAK2GAAJAK3MEN1KMT2A
SCHEMBL8353816 0.82 SMN1; SMN2 (0.51) ABL1SRCPDGFRBPDGFRANPC1
SCHEMBL2941787 0.81 ABL1 (0.75) ABL1SRCPDGFRBPDGFRANPC1
SCHEMBL5471757 0.79 NPC1 (0.65) ABL1SRCPDGFRBPDGFRAJAK2
SCHEMBL4385257 0.78 JAK2 (0.70) PDGFRBPDGFRAJAK2JAK3MAPK8
SCHEMBL2944084 0.76 CAMKK2 (0.77) ABL1SRCJAK2BCRPRKCA
SCHEMBL5472912 0.76 RAB9A (0.74) ABL1SRCPDGFRBPDGFRANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605766-A Pyrimidine derivatives and they are as the purposes of kinase inhibitor CGI PHARMACEUTICALS INC (US) 2009-12-16 CN claimed
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
CN-101605766-A Pyrimidine derivatives and they are as the purposes of kinase inhibitor CGI PHARMACEUTICALS INC (US) 2009-12-16 CN disclosed
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 131/4885SRC 146/4885PDGFRB 741/4885

“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.