SCHEMBL29344263

SCHEMBL29344263

COc1ccc(Cn2c(=O)[nH]c(=O)c3c(F)c(F)cc(F)c32)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
APLNR P35414 1/20 0.39
CA2 P00918 2/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
MAPT P10636 2/20 0.37
TACR1 P25103 1/20 0.37
AGTR1 P30556 1/20 0.37
PDE9A O76083 1/20 0.37
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL29937239 1.00 KDM4E (0.40) KDM4ELMNATSHRAPLNRCA2
SCHEMBL29344270 0.79 P2RX3 (0.40) KDM4ELMNATSHRAPLNRALDH1A1
SCHEMBL29344499 0.76 PDE9A (0.42) KDM4EALDH1A1GRIN1GRIN2BMAPT
SCHEMBL27033303 0.72 BRD4 (0.41) KDM4ELMNAAPLNRALDH1A1MEN1
SCHEMBL4172007 0.71 KDM4E (0.43) KDM4ELMNATSHRAPLNRALDH1A1
SCHEMBL28301483 0.70 PNP (0.55) KDM4EAPLNRGRIN1GRIN2BPDE9A
SCHEMBL3231780 0.70 MEN1 (0.45) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL3229932 0.69 ALDH1A1 (0.52) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL29936778 0.69 GRIN1 (0.41) KDM4ELMNAAPLNRALDH1A1MEN1
SCHEMBL19577097 0.68 HSD17B10 (0.62) KDM4ELMNATSHRALDH1A1MEN1

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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS KDM4E 3110/4885LMNA 4027/4885TSHR 4424/4885

“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.