SCHEMBL29977828

SCHEMBL29977828

Cc1cc(-c2cn3nc(C(=O)O)cc3c(=O)[nH]2)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.47
PARP1 P09874 4/20 0.47
TNKS2 Q9H2K2 4/20 0.47
RPA1 P27694 6/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
PPP1CA P62136 2/20 0.36
LDHA P00338 1/20 0.35
KMO O15229 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL23112511 1.00 TNKS (0.47) TNKSPARP1TNKS2RPA1GRIN2D
SCHEMBL23112540 0.91 TNKS (0.47) TNKSPARP1TNKS2RPA1GRIN2D
SCHEMBL23112559 0.90 PPP1CA (0.45) TNKSPARP1TNKS2RPA1GRIN2D
SCHEMBL23112312 0.90 TNKS (0.50) TNKSPARP1TNKS2KMOALDH1A1
SCHEMBL29977502 0.88 TNKS (0.45) TNKSPARP1TNKS2ADORA3PDE3B
SCHEMBL23112330 0.88 TNKS (0.45) TNKSPARP1TNKS2ADORA3PDE3B
SCHEMBL28554143 0.86 TNKS (0.47) TNKSPARP1TNKS2RPA1ALDH1A1
SCHEMBL28552353 0.84 TNKS (0.47) TNKSPARP1TNKS2ALDH1A1ADORA3
SCHEMBL23112453 0.84 TNKS (0.47) TNKSPARP1TNKS2GRIN2DGRIN3B
SCHEMBL23112774 0.84 TNKS (0.45) 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.