SCHEMBL834903

SCHEMBL834903

CC(C)(C)C#Cc1cncc(C(=O)N=S(C)(=O)c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.40
PDGFRB P09619 10/20 0.40
MAPT P10636 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
GRM5 P41594 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL834233 0.90 KDR (0.42) KDRPDGFRBPTGDR2ALDH1A1LMNA
SCHEMBL835920 0.89 KDR (0.44) KDRPDGFRBPTGDR2GRM5
SCHEMBL835382 0.88 KDR (0.45) KDRPDGFRBEGLN1
SCHEMBL14713178 0.87 KDR (0.42) KDRPDGFRBMAPTSAE1UBA2
SCHEMBL836605 0.85 KDR (0.45) KDRPDGFRBMAPT
SCHEMBL834682 0.85 KDR (0.45) KDRPDGFRBPTGDR2ALDH1A1LMNA
SCHEMBL835068 0.84 KDR (0.51) KDRPDGFRBMAPTLMNA
SCHEMBL1479033 0.84 KDR (0.49) KDRPDGFRBMAPTPTGDR2
SCHEMBL833449 0.83 KDR (0.44) KDRPDGFRBMAPTSAE1UBA2
SCHEMBL834498 0.83 KDR (0.52) KDRPDGFRBPTGDR2GRM5

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 368/4885MAPT 1650/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885MAPT 1650/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885MAPT 1650/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885MAPT 4786/4885

“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.