SCHEMBL20357380

SCHEMBL20357380

COc1ccc(C(F)(F)F)cc1NC(=O)NC1CCC(Oc2ccnc(-c3cccnc3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.46
▸ BCR P11274 2/20 0.46
▸ RAF1 P04049 4/20 0.45
▸ KDR P35968 4/20 0.44
▸ EPHX2 P34913 3/20 0.43
▸ BRAF P15056 1/20 0.42
▸ EPHB4 P54760 1/20 0.41
▸ TEK Q02763 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ NTRK1 P04629 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL18615518 1.00 ABL1 (0.46) ABL1BCRRAF1KDREPHX2
SCHEMBL20357311 0.90 EPHX2 (0.42) ABL1BCRRAF1KDREPHX2
SCHEMBL18615523 0.90 EPHX2 (0.42) ABL1BCRRAF1KDREPHX2
SCHEMBL18615513 0.89 ABL1 (0.46) ABL1RAF1KDREPHX2
SCHEMBL20357344 0.89 ABL1 (0.46) ABL1RAF1KDREPHX2
SCHEMBL18615515 0.88 ABL1 (0.49) ABL1BCRRAF1KDREPHX2
SCHEMBL20357352 0.88 ABL1 (0.49) ABL1BCRRAF1KDREPHX2
SCHEMBL20357306 0.86 EPHX2 (0.39) ABL1BCRRAF1KDREPHX2
SCHEMBL18615520 0.86 EPHX2 (0.39) ABL1BCRRAF1KDREPHX2
SCHEMBL18615509 0.81 EPHX2 (0.42) RAF1KDREPHX2BRAF

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 ABL1 3497/4885BCR 3142/4885RAF1 123/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 ABL1 3497/4885BCR 3142/4885RAF1 123/4885

“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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