SCHEMBL835856

SCHEMBL835856

CS(=O)(=NC(=O)c1cncc(C#Cc2cccnc2)c1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.48
PDGFRB P09619 8/20 0.48
EGFR P00533 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR9 P51686 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PTGES O14684 1/20 0.40
AKR1C3 P42330 1/20 0.40

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
SCHEMBL1478732 0.91 KDR (0.49) KDRPDGFRBPTGS1PTGS2PTGDR2
SCHEMBL835371 0.90 KDR (0.57) KDRPDGFRBEGFRPTGS2LMNA
SCHEMBL833991 0.90 KDR (0.50) KDRPDGFRBPTGS2
SCHEMBL835541 0.90 KDR (0.47) KDRPDGFRBEGFRPTGS1PTGS2
SCHEMBL835846 0.90 KDR (0.48) KDRPDGFRBPTGDR2PTGESAKR1C3
SCHEMBL835340 0.89 KDR (0.52) KDRPDGFRBPTGS1PTGS2PTGDR2
SCHEMBL832578 0.88 KDR (0.46) KDRPDGFRBLMNAKMT2A
SCHEMBL834991 0.88 KDR (0.51) KDRPDGFRBPTGS1PTGS2
SCHEMBL834334 0.87 KDR (0.47) KDRPDGFRBPTGS1PTGS2PTGDR2
SCHEMBL834097 0.87 KDR (0.47) KDRPDGFRBPTGS1PTGS2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099757-B1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN INC (US) 2014-06-25 EP disclosed
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 US disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 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 (4 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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885EGFR 81/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885EGFR 81/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885EGFR 81/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885EGFR 155/4885

“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.