SCHEMBL23220151

SCHEMBL23220151

CNc1ccn2cc(-c3ccc(NCCF)cc3)nc2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.40
RAB9A P51151 8/20 0.39
NPC1 O15118 6/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 6/20 0.39
GAA P10253 6/20 0.39
GLA P06280 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
TP53 P04637 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
APP P05067 3/20 0.36
POLB P06746 1/20 0.34

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
SCHEMBL18729482 0.85 APP (0.48) PDE10ARAB9ANPC1KDM4EALDH1A1
SCHEMBL17626854 0.81 APP (0.48) APP
SCHEMBL17626827 0.81 APP (0.44) PDE10ARAB9ANPC1KDM4EALDH1A1
SCHEMBL18842967 0.81 APP (0.44) PDE10ARAB9ANPC1KDM4EALDH1A1
SCHEMBL17626759 0.80 RAB9A (0.45) PDE10ARAB9ANPC1KDM4EALDH1A1
SCHEMBL17626765 0.80 RAB9A (0.56) PDE10ARAB9ANPC1KDM4EALDH1A1
SCHEMBL17626893 0.80 MAPT (0.44) RAB9ANPC1KDM4EALDH1A1GAA
SCHEMBL17626844 0.79 PDE10A (0.47) PDE10ARAB9ANPC1KDM4EALDH1A1
SCHEMBL17626863 0.78 PDE10A (0.58) PDE10ARAB9ANPC1KDM4EALDH1A1
SCHEMBL18691292 0.78 PDE10A (0.45) PDE10ARAB9ANPC1KDM4EALDH1A1

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-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-04-13 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-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HTR3D, PTGDR2, PTGIR PDE10A 1700/4885RAB9A 840/4885NPC1 66/4885

“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.