SCHEMBL4979212

SCHEMBL4979212

CCS(=O)(=O)c1ccc(OC)c(Nc2nccc(CNCn3c(NC(=O)Cc4ccc(Cl)c(Cl)c4)nc4ccccc43)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.43
ALK Q9UM73 3/20 0.40
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.38
RORC P51449 2/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL4978000 0.87 LMNA (0.41) ROCK2LMNARORCFLT1FLT4
SCHEMBL4978436 0.81 ROCK2 (0.43) ROCK2LMNAKDRKDM4E
SCHEMBL4976572 0.80 KDR (0.46) ROCK2FLT1KDR
SCHEMBL5223878 0.77 KDR (0.41) ALKRORCFLT1FLT4KDR
SCHEMBL4979215 0.76 ALK (0.38) ROCK2ALKRORCFLT1FLT4
SCHEMBL4980382 0.74 KDR (0.43) ROCK2LMNAKDRKDM4E
SCHEMBL4981233 0.74 KDM4E (0.41) ROCK2LMNAKDRKDM4E
SCHEMBL4978451 0.74 KDM4E (0.45) ROCK2LMNAKDRKDM4E
SCHEMBL4978076 0.73 NOD1 (0.44) ROCK2LMNAKDRKDM4E
SCHEMBL4979259 0.72 KDR (0.42) ROCK2LMNARORCKDRKDM4E

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 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 ROCK2 721/4885ALK 144/4885LMNA 3917/4885

“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.