SCHEMBL4978464

SCHEMBL4978464

CN(Cn1c(NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.51
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 2/20 0.43
DRD2 P14416 1/20 0.42
TBXA2R P21731 1/20 0.42
AURKA O14965 1/20 0.42
AKT1 P31749 1/20 0.41
PTK2 Q05397 1/20 0.41

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
SCHEMBL4980384 0.93 KDR (0.52) KDR
SCHEMBL4980909 0.93 KDR (0.51) KDRAURKA
SCHEMBL4978081 0.91 KDR (0.46) KDRKDM4ENOD2NOD1AURKA
SCHEMBL4978594 0.89 KDR (0.52) KDR
SCHEMBL6635302 0.89 KDR (0.50) KDRNOD1AURKA
SCHEMBL4978785 0.88 KDR (0.46) KDRAURKA
SCHEMBL4976931 0.86 KDR (0.48) KDRNOD1AURKA
SCHEMBL4976670 0.86 KDR (0.46) KDRAURKA
SCHEMBL4978451 0.84 KDM4E (0.45) KDRKDM4EALDH1A1NOD2NOD1
SCHEMBL4975124 0.83 KDR (0.55) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US claimed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 US claimed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 US disclosed
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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 (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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR KDR 3/4885KDM4E 617/4885ALDH1A1 994/4885

“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.