SCHEMBL23901680

SCHEMBL23901680

CCCOC1CCC(CCNC(=O)c2ncn3c(C)cc(-c4cccnc4)nc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
CRHR1 P34998 1/20 0.40
CRHR2 Q13324 1/20 0.40
CD38 P28907 1/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.38
CHRM4 P08173 2/20 0.36
GSK3B P49841 1/20 0.35
WNT1 P04628 2/20 0.35
DYRK1A Q13627 2/20 0.35
CXCR2 P25025 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL23901682 0.91 CRHR1 (0.44) CRHR1CRHR2LMNATHRBTP53
SCHEMBL19438251 0.91 CD38 (0.47) POLBCRHR1CRHR2CD38LMNA
SCHEMBL19438252 0.91 CD38 (0.47) POLBCRHR1CRHR2CD38LMNA
SCHEMBL21479242 0.87 POLB (0.41) POLBCRHR1CRHR2CD38LMNA
SCHEMBL23901575 0.87 KDM4E (0.39) POLBCRHR1CRHR2CD38LMNA
SCHEMBL23901683 0.84 CD38 (0.35) POLBCRHR1CRHR2CD38LMNA
SCHEMBL24080654 0.84 ALDH1A1 (0.47) POLBCRHR1CRHR2CD38LMNA
SCHEMBL23901595 0.82 CRHR1 (0.38) CRHR1CRHR2TP53CHRM4WNT1
SCHEMBL23901679 0.80 RAF1 (0.34) CD38KMT2A
SCHEMBL19437790 0.80 CRHR1 (0.45) CRHR1CRHR2CD38WNT1DYRK1A

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 POLB 495/4885CRHR1 3609/4885CRHR2 3728/4885

“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.