SCHEMBL24322947

SCHEMBL24322947

Clc1csc2c(C3CCCC3)ccnc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.35
GCGR P47871 1/20 0.32
CEL P19835 2/20 0.32
GPR35 Q9HC97 1/20 0.31
CCND1 P24385 1/20 0.31
CDK6 Q00534 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
COMT P21964 1/20 0.31
KMT5B Q4FZB7 1/20 0.30
KMT5C Q86Y97 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
SCHEMBL28380296 0.74 NR4A2 (0.33) CYP17A1
SCHEMBL4159284 0.69 KDM4E (0.38) CYP17A1COMT
SCHEMBL24322049 0.69 CAMKK1 (0.45) HTR2AHTR2CHTR2B
SCHEMBL24715876 0.67 KDM4E (0.41) CYP17A1GCGRCELCOMT
SCHEMBL24322064 0.64 CAMKK1 (0.46) HTR2AHTR2CHTR2B
SCHEMBL31026195 0.61 PDE8A (0.39) CYP17A1
SCHEMBL24715777 0.60 KDM4E (0.44) CYP17A1COMT
SCHEMBL14830510 0.60 EPHB4 (0.32) CYP17A1GPR35
SCHEMBL29864311 0.60 CYP17A1 (0.33) CYP17A1HTR2AHTR2CHTR2B
SCHEMBL27512765 0.60 CEL (0.38) CYP17A1GCGRCELHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357265-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS, INCORPORATED 2023-11-09 US disclosed
US-20230357265-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS, INCORPORATED 2023-11-09 US disclosed
US-11685744-B2 CDK inhibitors and their use as pharmaceuticals PRELUDE THERAPEUTICS INCORPORATED (US) 2023-06-27 US disclosed
US-11685744-B2 CDK inhibitors and their use as pharmaceuticals PRELUDE THERAPEUTICS INCORPORATED (US) 2023-06-27 US disclosed
WO-2022061273-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS, INCORPORATED (US) 2022-03-24 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 (2 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-20230357265-A1 CDK Inhibitors And Their Use As Pharmaceuticals CDK6, CDK1, CDK3 CYP17A1 1362/4885GCGR 2711/4885CEL 3324/4885
US-11685744-B2 CDK inhibitors and their use as pharmaceuticals CDK6, CDK1, CDK3 CYP17A1 1362/4885GCGR 2711/4885CEL 3324/4885

“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.