SCHEMBL834970

SCHEMBL834970

CS(=O)(=NC(=O)c1cncc(C#Cc2ccc(C(F)(F)F)cc2)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.47
PDGFRB P09619 9/20 0.45
AKR1C3 P42330 1/20 0.38
HSD11B1 P28845 1/20 0.38
PTPN1 P18031 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
MAPT P10636 1/20 0.38
SLC16A3 O15427 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
SCHEMBL836723 0.91 KDR (0.54) KDRPDGFRBAKR1C3
SCHEMBL834675 0.91 KDR (0.50) KDRPDGFRBEGLN1
SCHEMBL834454 0.90 KDR (0.46) KDRPDGFRBAKR1C3HSD11B1
SCHEMBL836858 0.89 KDR (0.53) KDRPDGFRBMAPTSLC16A3
SCHEMBL835062 0.89 KDR (0.53) KDRPDGFRBMAPTSLC16A3
SCHEMBL836650 0.89 KDR (0.53) KDRPDGFRBMAPTSLC16A3
SCHEMBL834461 0.89 KDR (0.46) KDRPDGFRBAKR1C3EGLN1
SCHEMBL833940 0.88 KDR (0.45) KDRPDGFRBMAPTSLC16A3
SCHEMBL834363 0.88 KDR (0.42) KDRPDGFRBHSD11B1
SCHEMBL832743 0.88 KDR (0.48) KDRPDGFRBMAPTSLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US claimed
EP-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 EP claimed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US claimed
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 WO claimed
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 368/4885AKR1C3 3747/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885AKR1C3 3747/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885AKR1C3 3747/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885AKR1C3 3180/4885

“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.