SCHEMBL30657140

SCHEMBL30657140

Cc1c(OC=O)ccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 6/20 0.53
TSHR P16473 3/20 0.48
CYP2A6 P11509 3/20 0.48
CYP1A2 P05177 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 3/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL218881 0.78 CYP2A6 (0.58) NCEH1TSHRCYP2A6CYP1A2L3MBTL1
SCHEMBL18650742 0.78 NCEH1 (0.51) NCEH1CYP1A2L3MBTL1TDP1GAA
SCHEMBL20179452 0.78 LMNA (0.51) NCEH1TSHRCYP2A6CYP1A2L3MBTL1
SCHEMBL27607719 0.78 NCEH1 (0.53) NCEH1TSHRCYP2A6CYP1A2L3MBTL1
SCHEMBL10186707 0.78 PTPN22 (0.48) CYP1A2L3MBTL1TDP1GAAMAPT
SCHEMBL2946 0.76 ALDH1A1 (0.47) L3MBTL1TDP1GAAMAPTRAB9A
SCHEMBL25205 0.76 MAPT (0.67) NCEH1TSHRCYP2A6CYP1A2L3MBTL1
Methylamine SCHEMBL27386148 0.76 ALDH1A1 (0.46) TSHRL3MBTL1TDP1GAARAB9A
SCHEMBL17291109 0.75 MAPT (0.38) TSHRCYP2A6CYP1A2L3MBTL1TDP1
SCHEMBL27456613 0.75 MAPT (0.55) CYP1A2L3MBTL1TDP1GAAMAPT

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-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 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-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF NCEH1 4046/4885TSHR 4687/4885CYP2A6 2066/4885

“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.