SCHEMBL18615439

SCHEMBL18615439

N[C@H]1CC[C@H](Oc2nccc(-c3cccnc3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.50
▸ HSP90AB1 P08238 1/20 0.50
▸ PTK2 Q05397 1/20 0.50
▸ ABL1 P00519 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ BCR P11274 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ PRKACG P22612 1/20 0.43
▸ PRKACB P22694 1/20 0.43
▸ PRKCA P17252 2/20 0.42
▸ PRKCD Q05655 2/20 0.42
▸ PIM1 P11309 6/20 0.41
▸ MKNK1 Q9BUB5 3/20 0.40
▸ MKNK2 Q9HBH9 3/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 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
Hydrochloric Acid SCHEMBL20357284 0.99 HSP90AA1 (0.49) HSP90AA1HSP90AB1PTK2ABL1EGFR
Hydrochloric Acid SCHEMBL20357283 0.99 HSP90AA1 (0.49) HSP90AA1HSP90AB1PTK2ABL1EGFR
SCHEMBL20357315 0.81 ABL1 (0.43) HSP90AA1HSP90AB1PTK2ABL1EGFR
SCHEMBL18616064 0.78 CYP2A6 (0.45) HSP90AA1HSP90AB1PTK2PIM1MKNK1
Hydrochloric Acid SCHEMBL20357454 0.77 CYP2A6 (0.44) HSP90AA1HSP90AB1PTK2PIM1MKNK1
Hydrochloric Acid SCHEMBL20357453 0.77 CYP2A6 (0.44) HSP90AA1HSP90AB1PTK2PIM1MKNK1
SCHEMBL18615680 0.76 CKS1B (0.46) ABL1BCRSRCROCK2KDM1A
SCHEMBL22347200 0.75 MEN1 (0.45) ABL1EGFRBCRSRCPRKACA
SCHEMBL27761684 0.73 HSP90AA1 (0.46) HSP90AA1HSP90AB1PTK2ABL1EGFR
SCHEMBL646997 0.72 FEN1 (0.39) PIM1IRAK4CDK1CDK4CCNE1

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
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 (1 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 HSP90AA1 3898/4885HSP90AB1 3942/4885PTK2 1554/4885

“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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