SCHEMBL6538828

SCHEMBL6538828

CC(C)n1nc(-c2cccnc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPRC P08575 2/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
PTPN13 Q12923 1/20 0.40
TP53 P04637 1/20 0.39
ADORA1 P30542 1/20 0.37
POLB P06746 2/20 0.36
FEN1 P39748 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
ABL1 P00519 1/20 0.36
PLCG1 P19174 1/20 0.36
CES1 P23141 1/20 0.36
PAX8 Q06710 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
SCHEMBL5149029 0.85 TP53 (0.44) TP53ADORA1POLBHRH3MEN1
SCHEMBL6538770 0.80 TP53 (0.39) TP53POLBHRH3ABL1KMT2A
SCHEMBL6538929 0.80 TGFBR1 (0.37) TP53ADORA1POLBHRH3PDE1A
SCHEMBL6539191 0.80 TP53 (0.38) TP53ADORA1POLBHRH3PDE1A
SCHEMBL6539239 0.80 POLB (0.40) ALDH1A1TP53POLBHRH3GAA
SCHEMBL6539037 0.79 NTRK1 (0.43) TP53POLBKMT2A
SCHEMBL6538914 0.79 TP53 (0.38) HSD17B10TP53POLBHRH3ABL1
SCHEMBL6539043 0.78 TP53 (0.49) ALDH1A1HSD17B10TP53POLBABL1
SCHEMBL6134324 0.78 ADORA1 (0.47) ADORA1KMT2A
SCHEMBL6537981 0.77 BMPR1B (0.35) ALDH1A1TP53POLBHRH3PDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS NUVATION BIO INC (US) 2022-07-07 US disclosed
US-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 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 (2 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-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS BET1, BRD4, BRD3 PTGS1 3069/4885PTGS2 3710/4885ALDH1A1 4021/4885
US-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof ADORA1, ADORA2A, P2RX5 PTGS1 615/4885PTGS2 780/4885ALDH1A1 1399/4885

“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.