SCHEMBL31366245

SCHEMBL31366245

COCCn1nc(Br)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ HTR2C P28335 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HCAR3 P49019 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ CDK4 P11802 1/20 0.33

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
SCHEMBL25746400 0.81 MPO (0.41) MPOKMT2AKDM4EMEN1PTGS2
SCHEMBL24076322 0.79 MPO (0.40) MPOKMT2AKDM4EMEN1PTGS2
SCHEMBL24076248 0.79 KDM4E (0.44) MPOKMT2AKDM4EMEN1PTGS2
Hydrochloric Acid SCHEMBL30168555 0.78 MPO (0.39) MPOKMT2AKDM4EMEN1PTGS2
SCHEMBL24246975 0.78 MPO (0.39) MPOKMT2AKDM4EMEN1PTGS2
SCHEMBL24077090 0.77 MPO (0.38) MPOKMT2AKDM4EMEN1PTGS2
SCHEMBL13896321 0.77 MEN1 (0.37) KMT2AKDM4EMEN1PTGS2HTR2C
SCHEMBL24667412 0.77 HRH3 (0.35) KMT2AKDM4EMEN1PTGS2HTR2C
SCHEMBL23202409 0.76 ALDH1A1 (0.40) KDM4EPTGS2ALDH1A1LMNACYP1A2
SCHEMBL17723466 0.76 PTGS2 (0.36) KMT2AKDM4EMEN1PTGS2ALDH1A1

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-20240425478-A1 CYCLOPENTYLPYRAZOLE CDK2 INHIBITORS GENENTECH INC (US) 2024-12-26 — — 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-20240425478-A1 CYCLOPENTYLPYRAZOLE CDK2 INHIBITORS CDK2, CCNI, CDK20 MPO 4791/4885KMT2A 1404/4885KDM4E 2426/4885

“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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