SCHEMBL6539191

SCHEMBL6539191

CC(C)n1nc(-c2ccc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
ADORA2A P29274 6/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
ADORA1 P30542 4/20 0.36
PDE10A Q9Y233 1/20 0.36
POLB P06746 1/20 0.35
RET P07949 1/20 0.35
P2RY6 Q15077 1/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD11B1 P28845 1/20 0.33
MERTK Q12866 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL6538398 0.88 ADORA2A (0.50) ADORA2AADORA1PDE10ARETBMPR1B
SCHEMBL6539239 0.88 POLB (0.40) TP53ADORA2APDE1APDE1BPDE1C
SCHEMBL6538914 0.84 TP53 (0.38) TP53ADORA2APDE1APDE1BPDE1C
SCHEMBL6538913 0.84 HSD17B10 (0.33) ADORA2AADORA1POLBBMPR1BBMPR1A
SCHEMBL6539063 0.83 BRD4 (0.42) ADORA2AADORA1PDE10AACVR1KDM4E
SCHEMBL6538477 0.83 ADORA2A (0.38) TP53ADORA2APDE1APDE1BPDE1C
SCHEMBL6134324 0.83 ADORA1 (0.47) ADORA2AADORA1
SCHEMBL5147924 0.82 ADORA2A (0.49) TP53ADORA2APDE1APDE1BPDE1C
SCHEMBL5149067 0.82 ADORA2A (0.49) TP53ADORA2APDE1APDE1BPDE1C
SCHEMBL6539035 0.82 PDE1A (0.42) ADORA2APDE1APDE1BPDE1CADORA1

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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 US disclosed
WO-2004022540-A2 PYRIDAZINONE AND PYRIDONE DERIVATIVES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-18 WO 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 TP53 3830/4885ADORA2A 2/4885PDE1A 391/4885

“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.