SCHEMBL18615489

SCHEMBL18615489

COc1c(CO)cc(C(F)(F)F)cc1NC(=O)N[C@H]1CC[C@H](Oc2ncccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.44
▸ EPHX2 P34913 14/20 0.39
▸ FAAH O00519 2/20 0.38
▸ FPR1 P21462 1/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ RAF1 P04049 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ LDHA P00338 1/20 0.37
▸ P2RY1 P47900 1/20 0.36

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
SCHEMBL20357294 1.00 MAPK14 (0.44) MAPK14EPHX2FAAHFPR1FPR2
SCHEMBL20357281 0.84 MAPK14 (0.42) MAPK14EPHX2RAF1BRAF
SCHEMBL18615639 0.84 MAPK14 (0.42) MAPK14EPHX2RAF1BRAF
SCHEMBL20357375 0.83 EPHX2 (0.41) MAPK14EPHX2RAF1BRAF
SCHEMBL18615632 0.83 EPHX2 (0.41) MAPK14EPHX2RAF1BRAF
SCHEMBL18615487 0.83 MAPK14 (0.49) MAPK14EPHX2KDM4EPOLB
SCHEMBL18615611 0.82 MAPK14 (0.43) MAPK14EPHX2FAAHFPR1FPR2
SCHEMBL20357312 0.82 MAPK14 (0.43) MAPK14EPHX2FAAHFPR1FPR2
SCHEMBL18615644 0.82 EPHX2 (0.39) MAPK14EPHX2FAAHRAF1BRAF
SCHEMBL20357325 0.82 EPHX2 (0.39) MAPK14EPHX2FAAHRAF1BRAF

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 MAPK14 584/4885EPHX2 4826/4885FAAH 4492/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 MAPK14 584/4885EPHX2 4826/4885FAAH 4492/4885

“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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