SCHEMBL18615470

SCHEMBL18615470

O=C(Nc1cc(C(F)(F)F)ccc1OC1COC1)N[C@H]1CC[C@H](Oc2nccc(-c3cccnc3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ EPHX2 P34913 5/20 0.39
▸ NTRK1 P04629 5/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ DDR2 Q16832 1/20 0.37
▸ KMO O15229 1/20 0.36
▸ KDR P35968 3/20 0.36
▸ EGFR P00533 2/20 0.36
▸ FGFR1 P11362 2/20 0.36
▸ IDH2 P48735 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ BRAF P15056 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
SCHEMBL20357436 1.00 ABL1 (0.40) ABL1BCREPHX2NTRK1SCN9A
SCHEMBL18615515 0.90 ABL1 (0.49) ABL1BCREPHX2NTRK1KDR
SCHEMBL20357352 0.90 ABL1 (0.49) ABL1BCREPHX2NTRK1KDR
SCHEMBL18615523 0.88 EPHX2 (0.42) ABL1BCREPHX2NTRK1DDR2
SCHEMBL20357311 0.88 EPHX2 (0.42) ABL1BCREPHX2NTRK1DDR2
SCHEMBL18615450 0.87 EPHX2 (0.44) EPHX2DDR2IDH2
SCHEMBL20357329 0.87 EPHX2 (0.44) EPHX2DDR2IDH2
SCHEMBL18615791 0.81 EPHX2 (0.42) EPHX2DDR2KDRIDH2GAA
SCHEMBL18615509 0.81 EPHX2 (0.42) EPHX2DDR2KDRIDH2GAA
SCHEMBL20357448 0.81 EPHX2 (0.42) EPHX2DDR2KDRIDH2GAA

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 ABL1 3497/4885BCR 3142/4885EPHX2 4826/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 ABL1 3497/4885BCR 3142/4885EPHX2 4826/4885

“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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