SCHEMBL12897993

SCHEMBL12897993

CSc1nnc(-c2ccncc2)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.70
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
TP53 P04637 1/20 0.63
PKM P14618 1/20 0.63
ALDH1A1 P00352 4/20 0.57
MAPT P10636 2/20 0.57
GSK3B P49841 4/20 0.55
NPC1 O15118 3/20 0.55
HTT P42858 3/20 0.55
GSK3A P49840 3/20 0.55
RAB9A P51151 2/20 0.55
MAPK1 P28482 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ATAD2 Q6PL18 1/20 0.55
POLB P06746 2/20 0.53
NCOA1 Q15788 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL17153797 0.84 TP53 (0.68) CYP1A2CYP2C19TP53PKMALDH1A1
SCHEMBL408382 0.82 HPGD (1.00) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL20221777 0.81 HPGD (0.70) HPGDTP53ALDH1A1MAPTNPC1
SCHEMBL720937 0.79 HPGD (0.68) HPGDCYP1A2CYP2C19TP53ALDH1A1
SCHEMBL6263973 0.79 HPGD (0.68) HPGDCYP1A2CYP2C19TP53PKM
SCHEMBL8811234 0.79 HPGD (0.68) HPGDCYP1A2CYP2C19TP53ALDH1A1
SCHEMBL26051623 0.79 HPGD (0.67) HPGDCYP1A2CYP2C19TP53PKM
SCHEMBL4883712 0.79 PKM (1.00) HPGDCYP1A2CYP2C19TP53PKM
SCHEMBL12925122 0.77 CYP1A2 (0.71) CYP1A2CYP2C19TP53PKMALDH1A1
SCHEMBL21336118 0.77 HPGD (0.64) HPGDCYP1A2CYP2C19TP53ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023164236-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
US-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP HPGD 1329/4885CYP1A2 1261/4885CYP2C19 1268/4885

“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.