SCHEMBL33527400

SCHEMBL33527400

Cn1cc2nc(Cl)c(C#N)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KHK P50053 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PGK1 P00558 2/20 0.36
KDM4E B2RXH2 3/20 0.34
NSD2 O96028 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 3/20 0.34
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 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
SCHEMBL33526076 0.77 PGK1 (0.46) ALDH1A1PGK1KDM4ENSD2MAPT
SCHEMBL20303174 0.75 KDM4E (0.38) ALDH1A1CYP1A2CYP2C19SMN1; SMN2KDM4E
SCHEMBL33526458 0.73 PGK1 (0.46) ALDH1A1PGK1KDM4ENSD2MAPT
SCHEMBL24163775 0.71 KDM4E (0.42) ALDH1A1SMN1; SMN2KDM4ENSD2MAPT
SCHEMBL24163221 0.70 MAPT (0.41) ALDH1A1CYP2C9PGK1KDM4ENSD2
SCHEMBL31752152 0.69 ALDH1A1 (0.40) ALDH1A1KHKNPSR1CYP1A2CYP2C9
SCHEMBL5043253 0.69 ALDH1A1 (0.43) ALDH1A1KHKNPSR1CYP1A2CYP2C9
SCHEMBL566209 0.69 KHK (0.57) ALDH1A1KHKNPSR1CYP1A2CYP2C9
SCHEMBL29318283 0.68 KDM4E (0.39) ALDH1A1KDM4ENSD2MAPTGAA
SCHEMBL10333722 0.67 ALDH1A1 (0.54) ALDH1A1KHKNPSR1CYP1A2CYP2C9

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-20260091048-A1 GIP RECEPTOR AGONIST COMPOUNDS LILLY CO ELI (US) 2026-04-02 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-20260091048-A1 GIP RECEPTOR AGONIST COMPOUNDS GIPR, GLP1R, GPR119 ALDH1A1 3578/4885KHK 3253/4885NPSR1 109/4885

“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.