SCHEMBL31456368

SCHEMBL31456368

c1cnc2c(c1)C1(CCCNC1)CN2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
MAPKAPK2 P49137 7/20 0.36
OTUD7B Q6GQQ9 1/20 0.34
HTR2C P28335 2/20 0.32
DRD2 P14416 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2B P41595 1/20 0.31

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
SCHEMBL31456354 0.90 HTR2A (0.37) HTR2AALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL31456439 0.85 MAP4K1 (0.38) HTR2ACYP3A4CYP1A2OTUD7BHTR2C
SCHEMBL25275576 0.85 MAP4K1 (0.38) CYP3A4CYP1A2OTUD7B
SCHEMBL26167986 0.85 MAP4K1 (0.38) HTR2ACYP3A4CYP1A2OTUD7BHTR2C
SCHEMBL29386972 0.85 MAP4K1 (0.38) CYP3A4CYP1A2OTUD7B
SCHEMBL6002104 0.82 ALDH1A1 (0.38) HTR2AALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL31212132 0.81 OTUD7B (0.40) CYP3A4CYP1A2OTUD7B
SCHEMBL18181144 0.81 OTUD7B (0.40) CYP3A4CYP1A2OTUD7B
SCHEMBL30277974 0.76 HTR2A (0.46) HTR2AALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL20066175 0.73 OTUD7B (0.40) CYP3A4CYP1A2OTUD7B

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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof GENENTECH, INC. (US) 2025-01-28 US claimed

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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof HIPK1, NEK1, HIPK2 HTR2A 2524/4885ALDH1A1 2398/4885CYP3A4 3696/4885

“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.