SCHEMBL31366255

SCHEMBL31366255

Clc1ccc(-n2ccnc2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
NOTUM Q6P988 1/20 0.61
CYP3A4 P08684 5/20 0.55
CYP2A6 P11509 1/20 0.55
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
ENPP2 Q13822 1/20 0.52
MKNK1 Q9BUB5 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
IDO1 P14902 1/20 0.50
ADH5 P11766 3/20 0.49
CYP2D6 P10635 2/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
MEN1 O00255 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP19A1 P11511 3/20 0.47
CYP1A2 P05177 1/20 0.45

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
SCHEMBL16201473 0.78 ENPP2 (0.61) NOTUMCYP3A4CYP2A6LMNAMAPT
SCHEMBL1839540 0.78 LMNA (0.61) NOTUMCYP3A4CYP2A6LMNAMAPT
SCHEMBL19296052 0.78 CYP3A4 (0.59) NOTUMCYP3A4CYP2A6LMNAMAPT
SCHEMBL2532397 0.77 LMNA (0.78) NOTUMCYP3A4CYP2A6LMNAMAPT
SCHEMBL31499118 0.76 POLB (1.00) POLBMAPTIDO1
SCHEMBL14946712 0.76 POLB (0.64) POLBCYP1A2CYP2C9
SCHEMBL872661 0.76 NOTUM (1.00) NOTUMCYP3A4CYP2A6LMNAMAPT
Hydrochloric Acid SCHEMBL28701756 0.75 LMNA (0.75) NOTUMCYP3A4CYP2A6LMNAMAPT
SCHEMBL4708730 0.74 IDO1 (0.59) NOTUMCYP3A4CYP2A6LMNAMAPT
SCHEMBL24342381 0.74 CYP3A4 (0.56) NOTUMCYP3A4CYP2A6LMNAMAPT

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 POLB 322/4885NOTUM 3458/4885CYP3A4 414/4885

“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.