SCHEMBL4978469

SCHEMBL4978469

CN(c1ccc(S(C)(=O)=O)cc1)c1nccc(N(C)c2cccc3c2nc(NC(=O)Cc2ccc(Cl)cc2)n3C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.40
LMNA P02545 2/20 0.37
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
RORC P51449 5/20 0.36
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
ADORA2A P29274 1/20 0.34
PARP1 P09874 1/20 0.34
KMT2A Q03164 2/20 0.34
DRD2 P14416 1/20 0.34
TBXA2R P21731 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
SIRT2 Q8IXJ6 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL4977130 0.93 KDR (0.46) KDRLMNARORCADORA2APARP1
SCHEMBL4980390 0.93 KDR (0.40) KDRRORCADORA2APARP1
SCHEMBL4980913 0.92 KDR (0.40) KDRRORCCACNA1GCACNA1HCACNA1I
SCHEMBL4978443 0.92 KDR (0.39) KDRLMNARORCKMT2AKDM4E
SCHEMBL4981241 0.90 KDR (0.35) KDRKCNJ6KCNJ5KCNJ3RORC
SCHEMBL4979266 0.89 KDR (0.40) KDRRORCADORA2APARP1
SCHEMBL4978086 0.89 KCNJ6 (0.38) KDRLMNAKCNJ6KCNJ5KCNJ3
SCHEMBL4978627 0.87 KDR (0.38) KDRRORCPARP1
SCHEMBL4976597 0.86 KDR (0.37) KDRLMNAADORA2AKMT2A
SCHEMBL4978787 0.86 LMNA (0.38) KDRLMNAPARP1CA1CA2

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 3/4885LMNA 3917/4885KCNJ6 3538/4885

“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.