SCHEMBL29977665

SCHEMBL29977665

Cc1cccc2ncc(-c3cn4nc(C(=O)O)cc4c(=O)[nH]3)cc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 2/20 0.46
TNKS O95271 8/20 0.41
PARP1 P09874 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
PDE2A O00408 1/20 0.38
EGLN1 Q9GZT9 1/20 0.36
ALDH1A1 P00352 1/20 0.34
SPR P35270 1/20 0.33
ACVR1 Q04771 1/20 0.32
PSMB5 P28074 1/20 0.32

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
SCHEMBL23112528 1.00 PTGER3 (0.46) PTGER3TNKSPARP1TNKS2PDE3B
Hydrochloric Acid SCHEMBL23112585 0.99 PTGER3 (0.45) PTGER3TNKSPARP1TNKS2PDE3B
Hydrochloric Acid SCHEMBL29977490 0.99 PTGER3 (0.45) PTGER3TNKSPARP1TNKS2PDE3B
SCHEMBL29978023 0.89 ADORA3 (0.43) PTGER3TNKSPARP1TNKS2ALDH1A1
SCHEMBL23112707 0.89 ADORA3 (0.43) PTGER3TNKSPARP1TNKS2ALDH1A1
SCHEMBL23112899 0.84 TOP2A (0.46) TNKSPARP1TNKS2ALDH1A1
SCHEMBL29977747 0.83 TACR3 (0.40) PTGER3PDE2A
SCHEMBL28556428 0.83 TACR3 (0.40) PTGER3PDE2A
SCHEMBL28556425 0.83 TACR3 (0.40) PTGER3PDE2A
SCHEMBL23112456 0.79 PTGER3 (0.42) PTGER3TNKSPARP1TNKS2PDE3B

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 223/4885TNKS 1312/4885PARP1 415/4885

“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.