SCHEMBL23901675

SCHEMBL23901675

Cc1cc(C2CCNCC2)nc2c(C(=O)NC(c3nccs3)C(F)(F)F)ncn12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.41
AKT1 P31749 1/20 0.36
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MAP3K12 Q12852 1/20 0.31

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
SCHEMBL23901681 0.86 PIM1 (0.33) CNR2PIM1PIM3PIM2MAP3K12
SCHEMBL23901570 0.76 PIM1 (0.33) CNR2PIM1PIM3PIM2
SCHEMBL19437887 0.72 ULK1 (0.36) CNR2
SCHEMBL23901466 0.69 DEGS1 (0.37) PIM1PIM3PIM2
SCHEMBL23901580 0.67 PKM (0.33) CNR2
SCHEMBL23901453 0.67 HCRTR2 (0.38) MAP3K12
SCHEMBL23901685 0.66 AHR (0.35)
SCHEMBL19438216 0.66 JAK2 (0.36)
SCHEMBL19438328 0.66 ULK1 (0.34)
SCHEMBL19438301 0.65 HDAC1 (0.38) CNR2

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-20210309661-A1 IMIDAZO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-10-07 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-20210309661-A1 IMIDAZO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, GBA2 CNR2 220/4885AKT1 4734/4885PIM1 151/4885

“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.