Sugi Predict

Sugi Predict / Compounds / SCHEMBL834088

SCHEMBL834088

SCHEMBL834088

COc1ccc2cc(C#Cc3cncc(C(=O)N=S(C)(=O)c4cccc(Cl)c4)c3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.44
▸ PDGFRB P09619 9/20 0.44
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PGR P06401 1/20 0.37
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL833723 0.93 KDR (0.42) KDRPDGFRBCYP11B1CYP11B2CYP1A2
SCHEMBL832647 0.93 KDR (0.48) KDRPDGFRBCA12CA1CA2
SCHEMBL835133 0.93 KDR (0.47) KDRPDGFRBCYP11B1CYP11B2CYP1A2
SCHEMBL833444 0.93 KDR (0.45) KDRPDGFRBALDH1A1GAAPKM
SCHEMBL836876 0.91 KDR (0.48) KDRPDGFRBCA12CA1CA2
SCHEMBL835272 0.91 KDR (0.45) KDRPDGFRBALDH1A1GAAKMT2A
SCHEMBL834941 0.90 KDR (0.54) KDRPDGFRBCYP11B1CYP11B2CYP1A2
SCHEMBL833755 0.90 KDR (0.44) KDRPDGFRBALDH1A1GAAPKM
SCHEMBL835165 0.89 KDR (0.44) KDRPDGFRBCYP11B1CYP11B2CYP1A2
SCHEMBL833247 0.89 KDR (0.43) KDRPDGFRBALDH1A1GAAPKM

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 368/4885ALDH1A1 2605/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ALDH1A1 2605/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ALDH1A1 2605/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885ALDH1A1 2320/4885

“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.