Sugi Predict

Sugi Predict / Compounds / SCHEMBL835378

SCHEMBL835378

SCHEMBL835378

COc1cccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3cccnc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.47
▸ PDGFRB P09619 4/20 0.47
▸ GAA P10253 1/20 0.44
▸ CSF1R P07333 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL835768 0.93 KDR (0.52) KDRPDGFRBCA12CA1CA2
SCHEMBL1477070 0.92 KDR (0.48) KDRPDGFRBCA12CA1CA2
SCHEMBL834588 0.91 KDR (0.46) KDRPDGFRBGAANFE2L2CYP11B1
SCHEMBL836872 0.91 KDR (0.47) KDRPDGFRBNFE2L2CA12CA1
SCHEMBL836325 0.90 KDR (0.46) KDRPDGFRBNFE2L2CA12CA1
SCHEMBL832578 0.90 KDR (0.46) KDRPDGFRBGAACSF1RNFE2L2
SCHEMBL832586 0.89 KDR (0.48) KDRPDGFRBCA12CA1CA2
SCHEMBL833614 0.89 KDR (0.58) KDRPDGFRBCA12CA1CA2
SCHEMBL834756 0.89 KDR (0.54) KDRPDGFRBCA12CA1CA2
SCHEMBL14713174 0.89 KDR (0.45) KDRPDGFRBGAANFE2L2CA12

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 368/4885GAA 1736/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885GAA 1736/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885GAA 1736/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885GAA 3138/4885

“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.