SCHEMBL29344170

SCHEMBL29344170

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)c(I)c(Cl)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.50
LMNA P02545 4/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL29344169 0.81 PIK3CA (0.47) PIK3CALMNAMAPTNPSR1ALDH1A1
SCHEMBL12935065 0.79 LMNA (0.48) PIK3CALMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL29937148 0.77 PIK3CA (0.41) PIK3CALMNAMAPTNPSR1ALDH1A1
SCHEMBL23974786 0.77 PIK3CD (0.42) PIK3CALMNAMAPTNPSR1ALDH1A1
SCHEMBL114357 0.76 PIK3CA (0.77) PIK3CALMNAMAPTNPSR1ALDH1A1
SCHEMBL168693 0.76 PIK3CA (0.56) PIK3CALMNAMAPTALDH1A1CYP1A2
SCHEMBL30759427 0.76 PIK3CD (0.43) PIK3CALMNAMAPTNPSR1ALDH1A1
SCHEMBL26978200 0.76 PIK3CA (0.47) PIK3CALMNAMAPTNPSR1ALDH1A1
SCHEMBL30559702 0.76 PIK3CA (0.47) PIK3CALMNAMAPTNPSR1ALDH1A1
SCHEMBL26977915 0.76 PIK3CA (0.47) PIK3CALMNAMAPTNPSR1ALDH1A1

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-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 PIK3CA 96/4885LMNA 4027/4885MAPT 4552/4885

“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.