SCHEMBL29945196

SCHEMBL29945196

O=c1[nH]c(=O)c2cc(F)c(-c3cccc4cccc(F)c34)nc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDR P35968 1/20 0.40
PARP1 P09874 1/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2B P29275 1/20 0.39
PIK3CG P48736 1/20 0.37
CDC25B P30305 1/20 0.36
TYMS P04818 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 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
SCHEMBL24705193 0.75 ADORA2A (0.41) MAPTGAAKDM4EALDH1A1CYP1A2
SCHEMBL29727969 0.75 ADORA2A (0.41) MAPTGAAKDM4EALDH1A1CYP1A2
SCHEMBL25419299 0.75 PARP1 (0.37) PARP1TYMSTYMPDAODDO
SCHEMBL28846841 0.74 PDE3B (0.45) MAPTGAAKDM4EALDH1A1CYP1A2
SCHEMBL824381 0.71 PIK3CG (0.56) MAPTGAAKDM4EALDH1A1CYP1A2
SCHEMBL30065138 0.70 MAPT (0.49) MAPTGAAKDM4EALDH1A1CYP1A2
SCHEMBL29824106 0.68 KDM4E (0.47) MAPTGAAKDM4EALDH1A1CYP1A2
SCHEMBL20805456 0.68 KDM4E (0.47) MAPTGAAKDM4EALDH1A1CYP1A2
SCHEMBL22720434 0.67 PDE3B (0.43) MAPTGAAKDM4EALDH1A1CYP1A2
SCHEMBL28846864 0.66 MAPT (0.33) MAPTGAAADORA2AADORA1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182470-A1 KRASG12C MUTANT PROTEIN INHIBITOR, PREARATION AND USE THEREOF YA THERAPEUTICS INC (CN) 2024-06-06 US disclosed
CN-115073450-A KRAS G12C Preparation and application of mutant protein inhibitor 药雅科技(上海)有限公司 2022-09-20 CN 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-20240182470-A1 KRASG12C MUTANT PROTEIN INHIBITOR, PREARATION AND USE THEREOF KRAS, NRAS, HRAS MAPT 3137/4885GAA 2047/4885KDM4E 3623/4885

“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.