SCHEMBL21801477

SCHEMBL21801477

CCc1c(-c2nnc(NCc3ccccc3)o2)[nH]c2ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 12/20 0.48
▸ CCNE1 P24864 12/20 0.48
▸ CDK2 P24941 12/20 0.48
▸ DBF4 Q9UBU7 12/20 0.48
▸ QPCT Q16769 2/20 0.44
▸ PRNP P04156 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ NR2E3 Q9Y5X4 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 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
SCHEMBL21801489 0.90 PRNP (0.40) CDC7CCNE1CDK2DBF4QPCT
SCHEMBL21801526 0.88 CDC7 (0.48) CDC7CCNE1CDK2DBF4QPCT
SCHEMBL21801534 0.85 BCL2 (0.44) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL21801481 0.80 NPC1 (0.49) CYP1A2CYP2C9CYP2C19LMNAHTT
SCHEMBL24750117 0.79 GSK3B (0.45) QPCTPRNPCYP1A2CYP2C9CYP2C19
SCHEMBL21801557 0.78 CNR1 (0.52) CDK2
SCHEMBL21801468 0.78 QPCT (0.42) QPCTPRNPCYP1A2CYP2C9CYP2C19
SCHEMBL21801456 0.77 CYP1A2 (0.46) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL21801539 0.77 QPCT (0.47) QPCTPRNPCYP1A2CYP2C9CYP2C19
SCHEMBL21801500 0.75 CDC7 (0.50) CDC7CCNE1CDK2DBF4QPCT

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 CDC7 4106/4885CCNE1 3200/4885CDK2 1204/4885

“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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