SCHEMBL29977015

SCHEMBL29977015

CCOC(=O)c1cc2c(=O)[nH]c(-c3ccc(C)c(C(F)(F)F)c3)cn2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.45
PARP1 P09874 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
ADORA3 P0DMS8 1/20 0.41
SPR P35270 1/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NOTUM Q6P988 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
SCHEMBL23112734 1.00 TNKS (0.45) TNKSPARP1TNKS2ADORA3SPR
SCHEMBL23112281 0.93 TNKS (0.44) TNKSPARP1TNKS2ADORA3SPR
SCHEMBL23112293 0.89 TNKS (0.47) TNKSPARP1TNKS2ADORA3SPR
SCHEMBL23112619 0.88 TNKS (0.44) TNKSPARP1TNKS2ADORA3SPR
SCHEMBL29977039 0.88 TNKS (0.48) TNKSPARP1TNKS2ADORA3ALDH1A1
SCHEMBL23112597 0.88 TNKS (0.48) TNKSPARP1TNKS2ADORA3ALDH1A1
SCHEMBL23112708 0.86 TNKS (0.44) TNKSPARP1TNKS2ADORA3SPR
SCHEMBL23112429 0.86 TNKS (0.44) TNKSPARP1TNKS2ADORA3SPR
SCHEMBL23112455 0.84 TNKS (0.44) TNKSPARP1TNKS2ADORA3SPR
SCHEMBL29976868 0.84 TNKS (0.44) TNKSPARP1TNKS2ADORA3SPR

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.