SCHEMBL6539289

SCHEMBL6539289

O=c1ccc(-c2cccnc2-c2ccccc2)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
AKR1B1 P15121 1/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
PTPRC P08575 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
PTPN13 Q12923 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP2 O95551 1/20 0.41

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
SCHEMBL5259104 0.78 CYP1A2 (0.64) CYP1A2PTGS1AKR1B1PDE3BPDE3A
SCHEMBL10354174 0.78 CYP1A2 (0.67) CYP1A2AKR1B1PDE3BPDE3AHPGD
SCHEMBL11242504 0.76 LMNA (0.49) CYP1A2AKR1B1PDE3BPDE3AMEN1
SCHEMBL482059 0.76 CYP1A2 (1.00) CYP1A2AKR1B1PDE3BPDE3AHPGD
SCHEMBL7689907 0.75 CYP1A2 (0.96) CYP1A2AKR1B1PDE3BPDE3AHPGD
SCHEMBL6133302 0.74 CYP1A2 (0.54) CYP1A2KMT2AGPR119
SCHEMBL21692150 0.74 PTGS1 (0.58) PTGS1PTGS2MEN1KMT2AALDH1A1
SCHEMBL26570373 0.73 KDM4E (0.50) CYP1A2PTGS1PTGS2HPGDMEN1
SCHEMBL37278 0.72 PTGS2 (0.66) PTGS1PTGS2HPGDMEN1KMT2A
SCHEMBL12854120 0.72 PTPRC (0.57) PTGS1PTGS2MEN1KMT2AALDH1A1

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-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 (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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof ADORA1, ADORA2A, P2RX5 CYP1A2 772/4885PTGS1 615/4885PTGS2 780/4885

“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.