SCHEMBL18615520

SCHEMBL18615520

COc1c(CO)cc(C(F)(F)F)cc1NC(=O)N[C@H]1CC[C@H](Oc2ccnc(-c3cccnc3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ KDR P35968 3/20 0.36
▸ NTRK1 P04629 2/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ RAF1 P04049 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GSK3A P49840 2/20 0.35
▸ SRC P12931 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ CD38 P28907 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL20357306 1.00 EPHX2 (0.39) EPHX2MAPK14KDRNTRK1ABL1
SCHEMBL18615483 0.90 EPHX2 (0.41) EPHX2KDRABL1RAF1
SCHEMBL20357336 0.90 EPHX2 (0.41) EPHX2KDRABL1RAF1
SCHEMBL20357380 0.86 ABL1 (0.46) EPHX2KDRNTRK1ABL1BCR
SCHEMBL18615518 0.86 ABL1 (0.46) EPHX2KDRNTRK1ABL1BCR
SCHEMBL20357375 0.85 EPHX2 (0.41) EPHX2MAPK14KDRRAF1GSK3A
SCHEMBL18615632 0.85 EPHX2 (0.41) EPHX2MAPK14KDRRAF1GSK3A
SCHEMBL20357325 0.83 EPHX2 (0.39) EPHX2MAPK14RAF1GSK3ASRC
SCHEMBL18615644 0.83 EPHX2 (0.39) EPHX2MAPK14RAF1GSK3ASRC
SCHEMBL20357294 0.81 MAPK14 (0.44) EPHX2MAPK14RAF1

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 584/4885KDR 231/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 EPHX2 4826/4885MAPK14 584/4885KDR 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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