SCHEMBL24317119

SCHEMBL24317119

COc1cc(N2CCN(C)c3cc(-c4c(C)nn(C)c4C)c(C#N)cc32)c2cc(C)c(=O)n(C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ WDR5 P61964 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ MCL1 Q07820 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CRHR1 P34998 1/20 0.30

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
SCHEMBL24317120 0.85 FGFR1 (0.32) PDE10ACRHR1
SCHEMBL24316774 0.84 PRKDC (0.36) —
SCHEMBL24316865 0.84 GABRA1 (0.35) KDM4E
SCHEMBL26549131 0.84 MAOA (0.34) PDE10AKDM4EALDH1A1
SCHEMBL29471215 0.83 CREBBP (0.40) —
SCHEMBL24316602 0.83 CREBBP (0.40) —
SCHEMBL24317131 0.83 EGFR (0.32) PDE10A
SCHEMBL24317132 0.82 SLC6A4 (0.35) —
SCHEMBL29471224 0.82 SLC6A4 (0.35) —
SCHEMBL24317122 0.81 CTSD (0.40) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 — — US disclosed
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 — — US disclosed
WO-2022053967-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-03-17 — — 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-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS EP300, HDAC1, BRD3 POLB 895/4885PDE2A 2584/4885PDE10A 2684/4885

“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.

Send feedback