SCHEMBL31456366

SCHEMBL31456366

Cc1cnccc1CC#N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 4/20 0.39
AOC3 Q16853 4/20 0.39
CYP17A1 P05093 1/20 0.38
TNF P01375 1/20 0.37
CYP2E1 P05181 2/20 0.36
CYP2C8 P10632 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2A6 P11509 2/20 0.36
CYP2B6 P20813 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
TRPA1 O75762 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL21689084 0.84 CYP17A1 (0.40) AOC1AOC3CYP17A1TNFCYP2E1
SCHEMBL37676938 0.81 TNF (0.40) AOC1AOC3TNFCYP2E1CYP2C8
SCHEMBL3670639 0.81 TNF (0.40) AOC1AOC3TNFCYP2E1CYP2C8
SCHEMBL23674611 0.78 CCNC (0.44) AOC1AOC3TNFCYP2E1CYP2C8
SCHEMBL10526908 0.76 HTT (0.42) AOC1AOC3TNFCYP2E1CYP2C8
SCHEMBL360235 0.76 TNF (0.37) AOC1AOC3TNFCYP2E1CYP2C8
SCHEMBL31356313 0.76 TNF (0.37) AOC1AOC3TNFCYP2E1CYP2C8
SCHEMBL30915721 0.76 GAA (0.42) AOC1AOC3TNFCYP2A6LOXL2
SCHEMBL29215547 0.76 GAA (0.42) AOC1AOC3TNFCYP2A6LOXL2
SCHEMBL20519418 0.76 GPBAR1 (0.36) AOC1AOC3CYP17A1TNFCYP2E1

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 AOC1 1737/4885AOC3 2639/4885CYP17A1 815/4885

“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.