SCHEMBL22419361

SCHEMBL22419361

CCc1ccc2cnc(=O)n(C(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 9/20 0.44
▸ HDAC8 Q9BY41 1/20 0.39
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ EGFR P00533 2/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL17807791 0.80 CASR (0.45) CASR
SCHEMBL7688681 0.74 POLB (0.42) CASRNPC1ALDH1A1LMNAMAPT
SCHEMBL12327554 0.72 HDAC8 (0.53) HDAC8AKR1C3AKR1C2CYP1A2CYP2A6
SCHEMBL23507961 0.72 CDK4 (0.42) CDK4CCND1CCND2CCND3
SCHEMBL21122511 0.68 CSNK1E (0.40) CASRNPC1ALDH1A1LMNARAB9A
SCHEMBL22419390 0.68 CDK4 (0.35) CDK4CCND1CCND2CCND3
SCHEMBL25752355 0.68 CASR (0.39) CASRAKR1C3AKR1C2NPC1ALDH1A1
SCHEMBL23507965 0.68 BTK (0.43) CASRCDK4CCND1CCND2CCND3
SCHEMBL8172855 0.67 MPO (0.47) HDAC8CYP1A2CYP2A6
SCHEMBL22152166 0.67 PGR (0.57) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772892-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2020-09-15 — — US 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-10772892-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 CASR 4250/4885HDAC8 100/4885AKR1C3 4322/4885

“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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