SCHEMBL4978436

SCHEMBL4978436

CS(=O)(=O)Cc1ccc(Nc2nccc(CNCn3c(NC(=O)Cc4ccc(Cl)c(Cl)c4)nc4ccccc43)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.43
KDR P35968 5/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NOD2 Q9HC29 1/20 0.38
SLC2A1 P11166 1/20 0.38
MMP2 P08253 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
PLK1 P53350 1/20 0.37
PTK2 Q05397 1/20 0.37
AURKB Q96GD4 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4976572 0.94 KDR (0.46) ROCK2KDR
SCHEMBL4980382 0.92 KDR (0.43) ROCK2KDRKDM4EALDH1A1NOD2
SCHEMBL4978451 0.92 KDM4E (0.45) ROCK2KDRKDM4EALDH1A1NOD2
SCHEMBL4981233 0.92 KDM4E (0.41) ROCK2KDRKDM4EALDH1A1NOD2
SCHEMBL4978076 0.91 NOD1 (0.44) ROCK2KDRKDM4EALDH1A1NOD2
SCHEMBL4977121 0.91 KDR (0.47) ROCK2KDRKDM4EALDH1A1NOD2
SCHEMBL4979259 0.90 KDR (0.42) ROCK2KDRKDM4EALDH1A1NOD2
SCHEMBL4978588 0.90 KDR (0.43) ROCK2KDRSLC2A1
SCHEMBL4980906 0.89 KDR (0.42) ROCK2KDRKDM4EALDH1A1SLC2A1
SCHEMBL4976588 0.88 ALDH1A1 (0.42) ROCK2KDRKDM4EALDH1A1SLC2A1

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 4 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

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 ROCK2 721/4885KDR 3/4885KDM4E 617/4885

“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.