SCHEMBL20357313

SCHEMBL20357313

CNc1nccc(OC2CCC(NC(=O)Nc3cc(C(F)(F)F)ccc3OC3COC3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.43
▸ KDR P35968 2/20 0.42
▸ MAPK14 Q16539 2/20 0.42
▸ SYK P43405 2/20 0.42
▸ LCK P06239 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ DDR2 Q16832 1/20 0.42
▸ BRAF P15056 2/20 0.41
▸ TNNI3K Q59H18 1/20 0.41
▸ RAF1 P04049 2/20 0.39
▸ CCNC P24863 3/20 0.37
▸ CDK8 P49336 3/20 0.37
▸ IDH2 P48735 2/20 0.37
▸ GSK3A P49840 1/20 0.37

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
SCHEMBL18615481 1.00 EPHX2 (0.43) EPHX2KDRMAPK14SYKLCK
SCHEMBL18615651 0.89 EPHX2 (0.41) EPHX2DDR2BRAFRAF1IDH2
SCHEMBL20357303 0.89 EPHX2 (0.41) EPHX2DDR2BRAFRAF1IDH2
SCHEMBL18615791 0.86 EPHX2 (0.42) EPHX2KDRMAPK14SYKLCK
SCHEMBL21525451 0.86 KDR (0.41) KDRMAPK14SYKLCKSRC
SCHEMBL18615509 0.86 EPHX2 (0.42) EPHX2KDRMAPK14SYKLCK
SCHEMBL20357448 0.86 EPHX2 (0.42) EPHX2KDRMAPK14SYKLCK
SCHEMBL18615503 0.85 EPHX2 (0.47) EPHX2KDRMAPK14DDR2BRAF
SCHEMBL20357261 0.85 EPHX2 (0.47) EPHX2KDRMAPK14DDR2BRAF
SCHEMBL18615682 0.85 MAPK14 (0.43) EPHX2MAPK14DDR2BRAFRAF1

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 4 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
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

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

“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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