SCHEMBL30497372

SCHEMBL30497372

N#Cc1cc2ccnc(Cl)c2cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA3 Q9Y6Q9 1/20 0.40
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ESR1 P03372 5/20 0.34
ESR2 Q92731 5/20 0.34
IGFBP3 P17936 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
LRRK2 Q5S007 1/20 0.33
XDH P47989 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
SCHEMBL17137114 1.00 NCOA3 (0.40) NCOA3ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL16858473 0.81 KHK (0.42) NCOA3ALDH1A1NPSR1TDP1ESR1
SCHEMBL28551219 0.81 ALDH1A1 (0.46) NCOA3ALDH1A1CYP1A2CYP2C9HIPK2
SCHEMBL26071652 0.79 ALDH1A1 (0.39) NCOA3ALDH1A1CYP1A2CYP2C9HIPK2
SCHEMBL15820110 0.77 ALDH1A1 (0.40) NCOA3ALDH1A1NPSR1TDP1MAPT
SCHEMBL17136997 0.77 IRAK4 (0.51) ALDH1A1CYP1A2CYP2D6CYP2C9ALOX15
SCHEMBL30497336 0.77 IRAK4 (0.51) ALDH1A1CYP1A2CYP2D6CYP2C9ALOX15
SCHEMBL17151233 0.76 XDH (0.40) NCOA3IRAK4XDH
SCHEMBL17137104 0.75 IRAK4 (0.40) NCOA3ALDH1A1TDP1IRAK4MAPT
SCHEMBL17137611 0.75 TDP1 (0.42) ALDH1A1CYP1A2CYP2C9TDP1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12202836-B2 Bicyclic-fused heteroaryl or aryl compounds PFIZER INC. (US) 2025-01-21 US disclosed
US-20230339960-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds PFIZER (US) 2023-10-26 US disclosed
US-11702424-B2 Bicyclic-fused heteroaryl or aryl compounds PFIZER INC. (US) 2023-07-18 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 (3 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-20230339960-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds TTR, TYR, ABL1 NCOA3 74/4885ALDH1A1 1068/4885CYP1A2 158/4885
US-12202836-B2 Bicyclic-fused heteroaryl or aryl compounds TTR, TYR, ABL1 NCOA3 74/4885ALDH1A1 1068/4885CYP1A2 158/4885
US-11702424-B2 Bicyclic-fused heteroaryl or aryl compounds UGT2B7, CYP3A43, CYP3A4 NCOA3 160/4885ALDH1A1 594/4885CYP1A2 13/4885

“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.