Sugi Predict

Sugi Predict / Compounds / SCHEMBL16008043

SCHEMBL16008043

SCHEMBL16008043

COc1cccc(/C(=C/C(N)=O)c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 1.00
▸ RAF1 P04049 4/20 0.51
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ PDGFRB P09619 2/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TEK Q02763 3/20 0.47
▸ FLT1 P17948 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ RIPK1 Q13546 1/20 0.46

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
SCHEMBL16008046 1.00 KDR (1.00) KDRRAF1CA12CA1CA2
SCHEMBL16008307 0.92 KDR (1.00) KDRRAF1CA12CA1CA2
SCHEMBL16008305 0.92 KDR (1.00) KDRRAF1CA12CA1CA2
SCHEMBL16008185 0.88 KDR (1.00) KDRCA12CA1CA2CA9
SCHEMBL16008186 0.88 KDR (1.00) KDRCA12CA1CA2CA9
SCHEMBL16008183 0.88 KDR (1.00) KDRCA12CA1CA2CA9
SCHEMBL16008163 0.84 KDR (0.85) KDRCA12CA1CA2CA9
SCHEMBL16008165 0.84 KDR (0.85) KDRCA12CA1CA2CA9
SCHEMBL16008166 0.84 KDR (0.85) KDRCA12CA1CA2CA9
SCHEMBL31504006 0.74 KDR (0.66) KDRRAF1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321721-B2 Kinase inhibitors ALLERGAN, INC. (US) 2016-04-26 — — US claimed
WO-2014138452-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2014-09-12 — — WO claimed
US-20140256819-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2014-09-11 — — US claimed
US-9321721-B2 Kinase inhibitors ALLERGAN, INC. (US) 2016-04-26 — — US disclosed
US-9321721-B2 Kinase inhibitors ALLERGAN, INC. (US) 2016-04-26 — — US disclosed
US-9321721-B2 Kinase inhibitors ALLERGAN, INC. (US) 2016-04-26 — — US disclosed
WO-2014138452-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2014-09-12 — — WO disclosed
WO-2014138452-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2014-09-12 — — WO disclosed
US-20140256819-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2014-09-11 — — US disclosed
US-20140256819-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2014-09-11 — — US disclosed
US-20140256819-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2014-09-11 — — 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 (1 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-20140256819-A1 KINASE INHIBITORS CDK1, MAP3K1, MAPK1 KDR 322/4885RAF1 26/4885CA12 4843/4885

“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.