SCHEMBL23901591

SCHEMBL23901591

Cc1cc(C2CCOCC2)nc2c(C(=O)Nc3ccc4c(c3)CCC4)ncn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.43
NPC1 O15118 7/20 0.43
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
MAPT P10636 4/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
TP53 P04637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 3/20 0.41
PKM P14618 2/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
STAT1 P42224 1/20 0.41

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
SCHEMBL23901674 0.84 LMNA (0.38) ALDH1A1MAPTTP53KMT2ALMNA
SCHEMBL17730336 0.83 RAB9A (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL23901524 0.82 IRAK4 (0.41) ALDH1A1SMN1; SMN2MAPTTP53KMT2A
SCHEMBL22472779 0.79 RAB9A (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL23901467 0.75 IRAK4 (0.34) ALDH1A1HSD17B10MAPK1
SCHEMBL23901677 0.71 L3MBTL1 (0.45) NPC1ALDH1A1MAPTTP53LMNA
SCHEMBL17730363 0.71 F2 (0.47) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL23901521 0.70 CD38 (0.39)
SCHEMBL24230362 0.69 RAB9A (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL19437846 0.69 MYC (0.36) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E

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 RAB9A 1063/4885NPC1 595/4885ALDH1A1 1121/4885

“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.