SCHEMBL29977670

SCHEMBL29977670

CCOC(=O)c1cc2c(=O)[nH]c(-c3ccc4cccc(F)c4c3)cn2n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 17/20 0.45
ADORA3 P0DMS8 1/20 0.44
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
SPR P35270 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
SCHEMBL23112525 1.00 PTGER3 (0.45) PTGER3ADORA3TNKSPARP1TNKS2
SCHEMBL29977130 0.87 ADORA3 (0.47) ADORA3TNKSPARP1TNKS2SPR
SCHEMBL23112639 0.87 ADORA3 (0.47) ADORA3TNKSPARP1TNKS2SPR
SCHEMBL29977014 0.86 PTGER3 (0.46) PTGER3
SCHEMBL23112621 0.86 PTGER3 (0.46) PTGER3
SCHEMBL23112619 0.85 TNKS (0.44) ADORA3TNKSPARP1TNKS2SPR
SCHEMBL29976903 0.83 PDE10A (0.44) ADORA3TNKSPARP1TNKS2SPR
SCHEMBL23112594 0.83 PDE10A (0.44) ADORA3TNKSPARP1TNKS2SPR
SCHEMBL23112293 0.82 TNKS (0.47) ADORA3TNKSPARP1TNKS2SPR
SCHEMBL14725967 0.81 ALDH1A1 (0.53) ADORA3TNKSPARP1TNKS2SPR

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 PTGER3 223/4885ADORA3 1332/4885TNKS 1312/4885

“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.