SCHEMBL25462002

SCHEMBL25462002

c1cnc2ccc(-c3cc4sc5ccccc5c4cn3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.41
CYP3A4 P08684 1/20 0.40
GPR3 P46089 1/20 0.37
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 3/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
MIF P14174 1/20 0.35
GABRA1 P14867 1/20 0.35
PDE10A Q9Y233 2/20 0.35
OGA O60502 1/20 0.34
POLB P06746 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
SCHEMBL25461965 0.90 TGFBR1 (0.41) TGFBR1CYP3A4GPR3ALDH1A1RAB9A
SCHEMBL25462004 0.86 NPC1 (0.42) GPR3ALDH1A1RAB9ANPC1KDM4E
SCHEMBL25461712 0.85 RAB9A (0.43) TGFBR1CYP3A4GPR3ALDH1A1RAB9A
SCHEMBL25462095 0.84 MAPT (0.41) CYP3A4GPR3ALDH1A1RAB9ANPC1
SCHEMBL25462016 0.84 NPC1 (0.54) CYP3A4GPR3ALDH1A1RAB9ANPC1
SCHEMBL25462013 0.84 NPC1 (0.40) CYP3A4GPR3ALDH1A1RAB9ANPC1
SCHEMBL26835845 0.83 PIK3CD (0.43) TGFBR1CYP3A4GPR3ALDH1A1RAB9A
SCHEMBL25461998 0.82 GPR3 (0.37) CYP3A4GPR3ALDH1A1RAB9ANPC1
SCHEMBL25462001 0.81 GPR3 (0.36) CYP3A4GPR3ALDH1A1RAB9ANPC1
SCHEMBL25462000 0.81 MAP4K4 (0.42) CYP3A4GPR3ALDH1A1RAB9ANPC1

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-20230151020-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-18 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-20230151020-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, OCIAD2, EHD1 TGFBR1 1969/4885CYP3A4 949/4885GPR3 4426/4885

“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.