SCHEMBL18615515

SCHEMBL18615515

COc1ccc(C(F)(F)F)cc1NC(=O)N[C@H]1CC[C@H](Oc2nccc(-c3cccnc3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 7/20 0.49
▸ BCR P11274 7/20 0.49
▸ PRKCA P17252 1/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ KDR P35968 4/20 0.43
▸ TEK Q02763 2/20 0.43
▸ EPHB4 P54760 1/20 0.43
▸ BRAF P15056 1/20 0.42
▸ ATR Q13535 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ NTRK1 P04629 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
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL20357352 1.00 ABL1 (0.49) ABL1BCRPRKCARAF1KDR
SCHEMBL20357436 0.90 ABL1 (0.40) ABL1BCRKDRBRAFNTRK1
SCHEMBL18615470 0.90 ABL1 (0.40) ABL1BCRKDRBRAFNTRK1
SCHEMBL20357380 0.88 ABL1 (0.46) ABL1BCRPRKCARAF1KDR
SCHEMBL18615518 0.88 ABL1 (0.46) ABL1BCRPRKCARAF1KDR
SCHEMBL18615448 0.86 MEN1 (0.47) RAF1KDRBRAFMAPTKDM4E
SCHEMBL20357297 0.86 MEN1 (0.47) RAF1KDRBRAFMAPTKDM4E
SCHEMBL18615638 0.79 NAMPT (0.51) RAF1KDRTEKEPHB4BRAF
SCHEMBL20357233 0.79 NAMPT (0.51) RAF1KDRTEKEPHB4BRAF
SCHEMBL20976451 0.79 EPHX2 (0.56) RAF1BRAFMAPTKDM4EALDH1A1

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 3142/4885PRKCA 3402/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 ABL1 3497/4885BCR 3142/4885PRKCA 3402/4885

“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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