SCHEMBL836845

SCHEMBL836845

CC(=O)Nc1ccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccncc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.52
PDGFRB P09619 9/20 0.52
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
BDKRB1 P46663 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL14713183 0.92 KDR (0.57) KDRPDGFRBHPGDKDM4EMEN1
SCHEMBL836264 0.91 KDR (0.61) KDRPDGFRBHPGDKDM4EMEN1
SCHEMBL836681 0.90 KDR (0.51) KDRPDGFRBHPGDKDM4EMEN1
SCHEMBL835900 0.90 KDR (0.51) KDRPDGFRBHPGDKDM4EMEN1
SCHEMBL835188 0.90 KDR (0.55) KDRPDGFRBHPGDKMT2ACYP3A4
SCHEMBL1478529 0.90 KDR (0.52) KDRPDGFRBHPGDKDM4EMEN1
SCHEMBL834805 0.89 KDR (0.49) KDRPDGFRBHPGDKDM4EMEN1
SCHEMBL835865 0.89 KDR (0.55) KDRPDGFRBMEN1KMT2ASMN1; SMN2
SCHEMBL835116 0.88 KDR (0.49) KDRPDGFRBHPGDKDM4EMEN1
SCHEMBL833393 0.88 KMT2A (0.50) KDRPDGFRBHPGDKDM4EMEN1

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 368/4885HPGD 2861/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885HPGD 2861/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885HPGD 2861/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885HPGD 1471/4885

“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.