SCHEMBL23901464

SCHEMBL23901464

Cc1cc(-c2ccccn2)nc2c(C(=O)NC(=O)C3CCCCC3)ncn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
RAB9A P51151 4/20 0.45
ADORA3 P0DMS8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.42
LMNA P02545 4/20 0.42
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 3/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41
GPR39 O43194 2/20 0.40
GRM4 Q14833 1/20 0.38
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 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
SCHEMBL21479283 0.84 ALDH1A1 (0.45) ALDH1A1RAB9AADORA3L3MBTL1SMN1; SMN2
SCHEMBL19681746 0.82 SYK (0.36) ALDH1A1ADORA3KDM4EHPGDKMT2A
SCHEMBL19437972 0.81 KDM4E (0.38) ALDH1A1ADORA3SMN1; SMN2LMNAKDM4E
SCHEMBL20938514 0.81 ALDH1A1 (0.40) ALDH1A1RAB9AADORA3L3MBTL1SMN1; SMN2
SCHEMBL19438055 0.80 RIPK1 (0.46) ALDH1A1ADORA3SMN1; SMN2LMNAKDM4E
SCHEMBL19438056 0.80 RIPK1 (0.46) ALDH1A1ADORA3SMN1; SMN2LMNAKDM4E
SCHEMBL19437775 0.79 KDM4E (0.43) ALDH1A1ADORA3KDM4EMAPTKMT2A
SCHEMBL19438102 0.78 KDM4E (0.43) ALDH1A1ADORA3KDM4EMAPTKMT2A
SCHEMBL19438098 0.78 KDM4E (0.43) ALDH1A1ADORA3KDM4EMAPTKMT2A
SCHEMBL19438040 0.77 KDM4E (0.37) ALDH1A1RAB9ASMN1; SMN2LMNAKDM4E

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 ALDH1A1 1121/4885RAB9A 1063/4885ADORA3 337/4885

“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.