SCHEMBL18615495

SCHEMBL18615495

COc1ccc(C(F)(F)F)cc1NC(=O)N[C@H]1CC[C@H](OCc2ccncc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.46
▸ EPHB4 P54760 1/20 0.46
▸ TEK Q02763 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ RAF1 P04049 8/20 0.42
▸ TSHR P16473 1/20 0.42
▸ EPHX2 P34913 2/20 0.42
▸ KCNT1 Q5JUK3 1/20 0.42
▸ KCNT2 Q6UVM3 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 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
SCHEMBL20357351 1.00 KDR (0.46) KDREPHB4TEKKMT2AMEN1
SCHEMBL18615638 0.90 NAMPT (0.51) KDREPHB4TEKKMT2AMEN1
SCHEMBL20357233 0.90 NAMPT (0.51) KDREPHB4TEKKMT2AMEN1
SCHEMBL18615684 0.89 CRHR1 (0.45) KDRGAAEPHX2
SCHEMBL20357290 0.89 CRHR1 (0.45) KDRGAAEPHX2
SCHEMBL20357421 0.88 CXCR3 (0.48) KDREPHB4TEKKMT2AMEN1
SCHEMBL18615456 0.88 CXCR3 (0.48) KDREPHB4TEKKMT2AMEN1
SCHEMBL20357420 0.88 EPHX2 (0.42) KDREPHB4TEKKMT2AMAPT
SCHEMBL18615466 0.88 DDR2 (0.44) GAARAF1EPHX2
SCHEMBL20357296 0.88 DDR2 (0.44) GAARAF1EPHX2

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 KDR 231/4885EPHB4 4655/4885TEK 135/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 KDR 231/4885EPHB4 4655/4885TEK 135/4885

“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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