SCHEMBL29977327

SCHEMBL29977327

O=C(O)c1cc2c(=O)[nH]ccn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
GRIA1 P42261 3/20 0.38
GRIA2 P42262 3/20 0.38
GRIA3 P42263 3/20 0.38
GRIA4 P48058 3/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
SPR P35270 2/20 0.37
PDPK1 O15530 1/20 0.36
KDM4E B2RXH2 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
RPA1 P27694 1/20 0.31
PLAT P00750 1/20 0.30
DAO P14920 1/20 0.30

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
SCHEMBL1898513 0.77 APOBEC3A (0.45) APOBEC3AAPOBEC3GGRIA1GRIA2GRIA3
SCHEMBL14864846 0.74 PARP1 (0.40) PDPK1KDM4E
SCHEMBL29976892 0.67 CA12 (0.45) KDM4E
SCHEMBL25372948 0.67 APOBEC3A (0.49) APOBEC3AAPOBEC3GGRIA1GRIA2GRIA3
SCHEMBL3459056 0.67 APOBEC3A (0.49) APOBEC3AAPOBEC3GSPRKDM4ERPA1
SCHEMBL12756983 0.67 APOBEC3A (0.49) APOBEC3AAPOBEC3GSPRKDM4ERPA1
SCHEMBL29079139 0.67 APOBEC3A (0.49) APOBEC3AAPOBEC3GSPRKDM4ERPA1
SCHEMBL1665456 0.65 APOBEC3A (0.46) APOBEC3AAPOBEC3GSPRKDM4ERPA1
SCHEMBL18372931 0.65 APOBEC3A (0.46) APOBEC3AAPOBEC3GSPRKDM4ERPA1
SCHEMBL28410772 0.64 APOBEC3A (0.45) APOBEC3AAPOBEC3GSPRKDM4ERPA1

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 APOBEC3A 2893/4885APOBEC3G 3148/4885GRIA1 4072/4885

“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.