SCHEMBL26012913

SCHEMBL26012913

CNc1ccc(N=O)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ALDH1A1 P00352 7/20 0.34
HSD17B10 Q99714 4/20 0.34
MAPK1 P28482 4/20 0.34
TSHR P16473 3/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
HTT P42858 3/20 0.32
CYP3A4 P08684 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
AHR P35869 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
ALOX15 P16050 2/20 0.32
GMNN O75496 1/20 0.32

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
SCHEMBL22648624 0.82 ALDH1A1 (0.38) ALDH1A1HSD17B10MAPK1TSHRTP53
SCHEMBL10138704 0.78 PRKCI (0.50) ALDH1A1HSD17B10MAPK1TSHRTP53
SCHEMBL14047389 0.78 ALDH1A1 (0.33) ALDH1A1HSD17B10MAPK1TSHRTP53
SCHEMBL24677812 0.77 ALDH1A1 (0.34) ALDH1A1HSD17B10MAPK1TSHRTP53
SCHEMBL1031031 0.76 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1TSHRKDM4E
SCHEMBL8935677 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPK1TSHRTP53
SCHEMBL28549139 0.75 MAPT (0.45) ALDH1A1HSD17B10MAPK1TSHRTP53
SCHEMBL28549140 0.75 MAPT (0.45) ALDH1A1HSD17B10MAPK1TSHRTP53
SCHEMBL28177918 0.73 PRKCI (0.38) ALDH1A1HSD17B10MAPK1TSHRTP53
SCHEMBL14219285 0.73 ALDH1A1 (0.54) ALDH1A1TP53KDM4EKMT2AMEN1

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-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 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-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, CHEK2 ESR1 461/4885ALDH1A1 2707/4885HSD17B10 2947/4885

“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.