SCHEMBL23076501

SCHEMBL23076501

CC(C)c1ccnc(-c2ccc(N)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.47
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 5/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 4/20 0.43
MEN1 O00255 3/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TGFBR1 P36897 2/20 0.41
KEAP1 Q14145 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
PIM1 P11309 1/20 0.38
HPGD P15428 2/20 0.38
SREBF2 Q12772 1/20 0.38
CHRNA7 P36544 1/20 0.37
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL23252956 0.85 CCR1 (0.42) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL25456048 0.84 ASIC3 (0.50) ASIC3ALDH1A1RAB9AMAPTNPC1
SCHEMBL2609341 0.84 MAP4K4 (0.45) MAPTKMT2AMEN1TGFBR1MAPKAPK2
SCHEMBL22971726 0.83 MAPKAPK2 (0.43) ASIC3MAPTNPC1TGFBR1MAPKAPK2
SCHEMBL14054103 0.83 ASIC3 (0.53) ASIC3ALDH1A1RAB9AMAPTNPC1
SCHEMBL11399098 0.82 CCR1 (0.48) ALDH1A1RAB9AMAPTNPC1TP53
Hydrochloric Acid SCHEMBL28148517 0.81 ASIC3 (0.52) ASIC3ALDH1A1RAB9AMAPTKMT2A
SCHEMBL24307406 0.78 TGFBR1 (0.37) TGFBR1MAPKAPK2PIM1HIF1ACYP3A4
SCHEMBL25946727 0.78 TGFBR1 (0.55) TGFBR1CHRNA7
SCHEMBL27822955 0.78 MAPT (0.44) ALDH1A1RAB9AMAPTKMT2ANPC1

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-20210074932-A1 ORGANIC METAL COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND LG DISPLAY CO., LTD (KR) 2021-03-11 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-20210074932-A1 ORGANIC METAL COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND OCIAD1, OCIAD2, OSTC ASIC3 1731/4885ALDH1A1 705/4885RAB9A 1817/4885

“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.