SCHEMBL23901682

SCHEMBL23901682

Cc1cc(-c2cccnc2)nc2c(C(=O)NCCC3CC3)ncn12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.44
CRHR2 Q13324 1/20 0.44
CHRM4 P08173 3/20 0.40
TP53 P04637 1/20 0.40
VCP P55072 1/20 0.39
TYRO3 Q06418 1/20 0.39
DYRK1A Q13627 5/20 0.38
WNT1 P04628 4/20 0.38
ADORA2A P29274 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
NAMPT P43490 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL23901680 0.91 POLB (0.41) CRHR1CRHR2CHRM4TP53DYRK1A
SCHEMBL23901595 0.91 CRHR1 (0.38) CRHR1CRHR2CHRM4TP53VCP
SCHEMBL19449370 0.86 CRHR1 (0.41) CRHR1CRHR2VCPDYRK1AWNT1
SCHEMBL19449422 0.85 DYRK1A (0.49) CRHR1CRHR2DYRK1AWNT1
SCHEMBL19438272 0.83 TYRO3 (0.41) CRHR1CRHR2TYRO3DYRK1AWNT1
SCHEMBL19449609 0.82 DYRK1A (0.47) DYRK1AADORA2ALMNA
SCHEMBL19437874 0.82 CRHR1 (0.45) CRHR1CRHR2DYRK1AWNT1
SCHEMBL19437872 0.82 CRHR1 (0.45) CRHR1CRHR2DYRK1AWNT1
SCHEMBL23901676 0.81 TRPV1 (0.43) TP53LMNA
SCHEMBL24080656 0.80 ALDH1A1 (0.55) CRHR1CRHR2CHRM4TP53LMNA

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 CRHR1 3609/4885CRHR2 3728/4885CHRM4 1486/4885

“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.