SCHEMBL29977133

SCHEMBL29977133

CCOC(=O)c1cc2c(=O)[nH]c(-c3ccc4ccccc4n3)cn2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.45
RAB9A P51151 3/20 0.43
SPR P35270 1/20 0.42
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 2/20 0.39
PDE10A Q9Y233 2/20 0.39
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38

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
SCHEMBL23112683 1.00 ADORA3 (0.45) ADORA3RAB9ASPRKDM4ENPC1
SCHEMBL23112639 0.85 ADORA3 (0.47) ADORA3RAB9ASPRKDM4ENPC1
SCHEMBL29977130 0.85 ADORA3 (0.47) ADORA3RAB9ASPRKDM4ENPC1
SCHEMBL29977109 0.84 MGAM (0.43) RAB9ASPRKDM4ENPC1TNKS
SCHEMBL23112390 0.84 MGAM (0.43) RAB9ASPRKDM4ENPC1TNKS
SCHEMBL23112594 0.83 PDE10A (0.44) ADORA3RAB9ASPRKDM4ENPC1
SCHEMBL29976903 0.83 PDE10A (0.44) ADORA3RAB9ASPRKDM4ENPC1
Acetic Acid SCHEMBL23112324 0.81 FOS (0.44) ADORA3RAB9ASPRKDM4ENPC1
SCHEMBL23112525 0.79 PTGER3 (0.45) ADORA3SPRTNKSPARP1TNKS2
SCHEMBL29977670 0.79 PTGER3 (0.45) ADORA3SPRTNKSPARP1TNKS2

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 ADORA3 1332/4885RAB9A 2964/4885SPR 1568/4885

“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.