SCHEMBL31366246

SCHEMBL31366246

Clc1ccc(-n2cccn2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.61
POLB P06746 1/20 0.56
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
LMNA P02545 2/20 0.38

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
SCHEMBL27513112 1.00 NOTUM (0.61) NOTUMPOLBMAPTGAAKDM4E
SCHEMBL31402042 0.79 NOTUM (0.57) NOTUMPOLBMAPTGAAKDM4E
SCHEMBL29614982 0.78 NOTUM (0.52) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL18086479 0.78 NOTUM (0.52) NOTUMMAPTKDM4EALDH1A1MAPK1
SCHEMBL30088437 0.78 NOTUM (0.52) NOTUMMAPTGAAKDM4EALDH1A1
SCHEMBL23642208 0.78 NOTUM (0.52) NOTUMMAPTGAAKDM4EALDH1A1
SCHEMBL17743393 0.78 NOTUM (0.52) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL23119642 0.78 NOTUM (0.52) NOTUMMAPTGAAKDM4EALDH1A1
SCHEMBL21753379 0.77 NOTUM (0.51) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL4341894 0.77 NOTUM (0.78) NOTUMPOLBMAPTGAAKDM4E

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 NOTUM 3458/4885POLB 322/4885MAPT 1973/4885

“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.