SCHEMBL18615632

SCHEMBL18615632

CNc1nccc(O[C@H]2CC[C@H](NC(=O)Nc3cc(C(F)(F)F)cc(CO)c3OC)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.41
▸ MAPK14 Q16539 2/20 0.40
▸ BRAF P15056 2/20 0.39
▸ KDR P35968 1/20 0.39
▸ TNNI3K Q59H18 1/20 0.39
▸ RAF1 P04049 2/20 0.38
▸ GSK3A P49840 3/20 0.38
▸ CCNC P24863 6/20 0.38
▸ CDK8 P49336 6/20 0.38
▸ SRC P12931 1/20 0.38
▸ SYK P43405 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
SCHEMBL20357375 1.00 EPHX2 (0.41) EPHX2MAPK14BRAFKDRTNNI3K
SCHEMBL18615644 0.92 EPHX2 (0.39) EPHX2MAPK14BRAFRAF1GSK3A
SCHEMBL20357325 0.92 EPHX2 (0.39) EPHX2MAPK14BRAFRAF1GSK3A
SCHEMBL20357263 0.89 EPHX2 (0.46) EPHX2RAF1CCNCCDK8
SCHEMBL18615502 0.89 EPHX2 (0.46) EPHX2RAF1CCNCCDK8
SCHEMBL18615520 0.85 EPHX2 (0.39) EPHX2MAPK14KDRRAF1GSK3A
SCHEMBL20357306 0.85 EPHX2 (0.39) EPHX2MAPK14KDRRAF1GSK3A
SCHEMBL20357281 0.85 MAPK14 (0.42) EPHX2MAPK14BRAFKDRTNNI3K
SCHEMBL18615639 0.85 MAPK14 (0.42) EPHX2MAPK14BRAFKDRTNNI3K
SCHEMBL20357338 0.85 BRAF (0.42) EPHX2MAPK14BRAFRAF1CCNC

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-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 — — EP disclosed
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 — — EP disclosed
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 — — US disclosed
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 — — US disclosed
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES, INC. (JP) 2018-08-23 — — US disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 — — EP disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 — — EP disclosed
WO-2017038873-A1 UREA DERIVATIVE AND USE THEREFOR 東レ株式会社 2017-03-09 — — WO 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 (2 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-10280145-B2 Urea derivative and use therefor UTS2R, DDR1, WEE1 EPHX2 4826/4885MAPK14 584/4885BRAF 100/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 EPHX2 4826/4885MAPK14 584/4885BRAF 100/4885

“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.

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