SCHEMBL21801555

SCHEMBL21801555

Cc1c(-c2nnc(NCCc3ccccc3)o2)[nH]c2ccc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.49
▸ CNR1 P21554 6/20 0.45
▸ EGFR P00533 2/20 0.42
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CDK2 P24941 4/20 0.41
▸ CDC7 O00311 3/20 0.41
▸ CCNE1 P24864 3/20 0.41
▸ DBF4 Q9UBU7 3/20 0.41
▸ ELANE P08246 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ APP P05067 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38

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
SCHEMBL24750230 0.94 PTGS2 (0.46) PTGS2CNR1EGFRCDK2CDC7
SCHEMBL21801500 0.91 CDC7 (0.50) PTGS2CNR1EGFRCDK2CDC7
SCHEMBL21801557 0.89 CNR1 (0.52) PTGS2CNR1EGFRCDK2
SCHEMBL21801499 0.83 BCL2 (0.50) NPC1RAB9A
SCHEMBL21801498 0.81 GSK3B (0.46) PTGS2CNR1EGFRNPC1RAB9A
SCHEMBL21801479 0.79 QPCT (0.48) PTGS2CNR1EGFRNPC1RAB9A
SCHEMBL21801474 0.79 NPC1 (0.46) EGFRCCNCCDK8CDK2CDC7
SCHEMBL21801526 0.78 CDC7 (0.48) CNR1CDK2CDC7CCNE1DBF4
SCHEMBL21801525 0.78 MAPT (0.53) EGFRNPC1RAB9A
SCHEMBL21801489 0.77 PRNP (0.40) CNR1EGFRCCNCCDK8CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220257569-A1 INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-08-18 — — US disclosed
WO-2020051707-A1 INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2020-03-19 — — 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-20220257569-A1 INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE CNR2, GPR119, CNR1 PTGS2 1785/4885CNR1 3/4885EGFR 2634/4885

“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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