SCHEMBL18615513

SCHEMBL18615513

COc1ccc(OC(F)(F)F)cc1NC(=O)N[C@H]1CC[C@H](Oc2ccnc(-c3cccnc3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.46
▸ EPHX2 P34913 13/20 0.46
▸ KDR P35968 4/20 0.45
▸ FAAH O00519 5/20 0.45
▸ ATR Q13535 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ EGFR P00533 2/20 0.41
▸ FGFR1 P11362 2/20 0.41

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
SCHEMBL20357344 1.00 ABL1 (0.46) ABL1EPHX2KDRFAAHATR
SCHEMBL18615518 0.89 ABL1 (0.46) ABL1EPHX2KDRRAF1
SCHEMBL20357380 0.89 ABL1 (0.46) ABL1EPHX2KDRRAF1
SCHEMBL20357336 0.86 EPHX2 (0.41) ABL1EPHX2KDRFAAHRAF1
SCHEMBL18615483 0.86 EPHX2 (0.41) ABL1EPHX2KDRFAAHRAF1
SCHEMBL18615742 0.86 EPHX2 (0.52) EPHX2FAAHRAF1
SCHEMBL20357260 0.86 EPHX2 (0.52) EPHX2FAAHRAF1
SCHEMBL18615492 0.86 EPHX2 (0.55) EPHX2FAAHRAF1
SCHEMBL20357452 0.86 EPHX2 (0.55) EPHX2FAAHRAF1
SCHEMBL18615796 0.84 EPHX2 (0.51) EPHX2FAAHRAF1

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 ABL1 3497/4885EPHX2 4826/4885KDR 231/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 ABL1 3497/4885EPHX2 4826/4885KDR 231/4885

“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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