SCHEMBL29977302

SCHEMBL29977302

CCOC(=O)c1nn2cc(-c3cnc4cccc(C)c4c3)[nH]c(=O)c2c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 2/20 0.39
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 2/20 0.34
APP P05067 1/20 0.34
ADORA1 P30542 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL23112399 1.00 PTGER3 (0.39) PTGER3GRIN1GRIN2BKDM4EALDH1A1
SCHEMBL23112562 0.90 PTGER3 (0.41) PTGER3GRIN1GRIN2B
SCHEMBL23112458 0.86 PTGER3 (0.40) PTGER3KDM4EALDH1A1ADORA3MAPT
SCHEMBL23112758 0.81 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL29978023 0.81 ADORA3 (0.43) PTGER3KDM4EALDH1A1HPGDADORA3
SCHEMBL23112707 0.81 ADORA3 (0.43) PTGER3KDM4EALDH1A1HPGDADORA3
SCHEMBL23112484 0.80 ALDH1A1 (0.36) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL23112561 0.80 GRIN2B (0.36) GRIN1GRIN2BKDM4EALDH1A1HPGD
SCHEMBL23112506 0.80 PDE2A (0.41) KDM4EALDH1A1HPGDHSD17B10ADORA1
SCHEMBL29976857 0.80 ALDH1A1 (0.36) KDM4EALDH1A1HPGDHSD17B10NPSR1

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 223/4885GRIN1 4202/4885GRIN2B 3487/4885

“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.