Sugi Predict

Sugi Predict / Compounds / SCHEMBL835172

SCHEMBL835172

SCHEMBL835172

Cc1ccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccc([N+](=O)[O-])cc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.51
▸ PDGFRB P09619 8/20 0.51
▸ PKM P14618 2/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ CXCR5 P32302 1/20 0.38
▸ APLNR P35414 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL832658 0.93 KDR (0.46) KDRPDGFRBPKMKMT2AMEN1
SCHEMBL834579 0.92 KDR (0.57) KDRPDGFRBPTGS2LMNAMAPT
SCHEMBL834464 0.92 KDR (0.45) KDRPDGFRBKMT2AMEN1HSP90AA1
SCHEMBL834544 0.91 KDR (0.54) KDRPDGFRBKMT2AMEN1ALDH1A1
SCHEMBL835438 0.91 KDR (0.42) KDRPDGFRBPTGS2ALDH1A1
SCHEMBL833769 0.91 KDR (0.44) KDRPDGFRBALDH1A1LMNAMAPT
SCHEMBL836423 0.87 KDR (0.52) KDRPDGFRBPTGS2ALDH1A1SMN1; SMN2
SCHEMBL835000 0.87 KDR (0.52) KDRPDGFRBPTGS2ALDH1A1SMN1; SMN2
SCHEMBL835702 0.87 KDR (0.52) KDRPDGFRBKMT2APTGS2RAB9A
SCHEMBL833393 0.87 KMT2A (0.50) KDRPDGFRBKMT2AMEN1HSP90AA1

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 368/4885PKM 576/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885PKM 576/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885PKM 576/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885PKM 1057/4885

“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.