SCHEMBL24080656

SCHEMBL24080656

Cc1cc(-c2cccnc2)nc2c(C(=O)NCCC3CC3)cnn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.55
KDM4E B2RXH2 9/20 0.55
HPGD P15428 8/20 0.55
HSD17B10 Q99714 4/20 0.55
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 2/20 0.46
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR1 P34998 1/20 0.44
CRHR2 Q13324 1/20 0.44
LMNA P02545 2/20 0.44
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
CHRM4 P08173 2/20 0.44
CYP1A1 P04798 1/20 0.43
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL24080654 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL24080652 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL23023868 0.85 CHRM4 (0.53) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL19455189 0.83 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL19455696 0.82 LMNA (0.49) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL23901682 0.80 CRHR1 (0.44) CRHR1CRHR2LMNACHRM4TP53
SCHEMBL19455225 0.80 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL19455783 0.80 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL19455226 0.80 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL24080653 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10NPC1

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-11192892-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2021-12-07 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-11192892-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders GBA1, PARK7, GAA ALDH1A1 1084/4885KDM4E 889/4885HPGD 1253/4885

“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.