SCHEMBL25791830

SCHEMBL25791830

COc1ccnc(C2CC2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.37
▸ PDE1B Q01064 2/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ PDE8B O95263 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ PDE1A P54750 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ PDE1C Q14123 1/20 0.37
▸ PDE11A Q9HCR9 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ CHRM4 P08173 6/20 0.35
▸ CCNT1 O60563 3/20 0.35
▸ CDK9 P50750 3/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ CHRM2 P08172 2/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL30320519 1.00 DYRK1A (0.37) DYRK1APDE1BPDE2APDE8BADORA3
SCHEMBL16835721 0.79 HPGD (0.36) PDE4DCHRM4CCNT1CDK9CCNA2
SCHEMBL760443 0.79 HTR1A (0.35) CHRM4CCNT1CDK9CCNA2CDK2
SCHEMBL27031454 0.79 IKBKB (0.37) DYRK1ACHRM4CCNT1CDK9CCNA2
SCHEMBL29864280 0.79 HPGD (0.36) PDE4DCHRM4CCNT1CDK9CCNA2
SCHEMBL25791509 0.76 CHRNB4 (0.34) PDE1BPDE2APDE8BADORA3CYP2C19
SCHEMBL21287272 0.76 KDM4E (0.38) PDE10AOPRL1
SCHEMBL29864602 0.75 GRM1 (0.34) PDE1BPDE2APDE8BADORA3CYP2C19
SCHEMBL24350922 0.74 CHRM4 (0.51) CHRM4CHRM2
SCHEMBL4371506 0.73 DYRK1A (0.38) DYRK1ACCNT1CDK9CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 — — US disclosed
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 — — US disclosed
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 — — US disclosed
EP-4161494-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. (US) 2023-04-12 — — EP 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-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, USP8, USP7 DYRK1A 2905/4885PDE1B 1671/4885PDE2A 3492/4885

“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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