SCHEMBL29977004

SCHEMBL29977004

O=C(O)c1cc2c(=O)[nH]c(-c3ccc4ccccc4c3)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.44
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PTGER3 P43115 5/20 0.42
CA12 O43570 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACMSD Q8TDX5 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
MET P08581 1/20 0.37
KDR P35968 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL23112431 1.00 TNKS (0.44) TNKSPARP1TNKS2PTGER3CA12
SCHEMBL29977198 0.89 PTGER3 (0.45) TNKSPARP1TNKS2PTGER3ALDH1A1
SCHEMBL29977763 0.85 TNKS (0.40) TNKSPARP1TNKS2ALDH1A1ADORA2A
SCHEMBL23112374 0.85 TNKS (0.40) TNKSPARP1TNKS2ALDH1A1ADORA2A
SCHEMBL23112621 0.85 PTGER3 (0.46) PTGER3
SCHEMBL29977014 0.85 PTGER3 (0.46) PTGER3
SCHEMBL23112639 0.85 ADORA3 (0.47) TNKSPARP1TNKS2ALDH1A1CYP1A2
SCHEMBL29977130 0.85 ADORA3 (0.47) TNKSPARP1TNKS2ALDH1A1CYP1A2
SCHEMBL23112899 0.84 TOP2A (0.46) TNKSPARP1TNKS2ALDH1A1HPGD
SCHEMBL23112312 0.82 TNKS (0.50) TNKSPARP1TNKS2ALDH1A1ADORA3

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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK TNKS 1312/4885PARP1 415/4885TNKS2 1719/4885

“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.