SCHEMBL29344169

SCHEMBL29344169

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.47
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 4/20 0.36
PIK3CD O00329 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CRHR1 P34998 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD1 P21728 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 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
SCHEMBL30873330 0.83 PIK3CA (0.41) PIK3CALMNAMAPTNPSR1ALDH1A1
SCHEMBL29344170 0.81 PIK3CA (0.50) PIK3CALMNAMAPTNPSR1ALDH1A1
SCHEMBL29937332 0.79 PIK3CD (0.40) PIK3CALMNAMAPTNPSR1ALDH1A1
SCHEMBL21734048 0.79 PIK3CD (0.42) PIK3CALMNAMAPTNPSR1ALDH1A1
SCHEMBL29937241 0.78 PIK3CA (0.39) PIK3CALMNAMAPTNPSR1ALDH1A1
SCHEMBL27164516 0.78 PIK3CD (0.43) PIK3CALMNAMAPTALDH1A1PIK3CD
SCHEMBL30826929 0.75 PIK3CD (0.43) PIK3CALMNAMAPTNPSR1ALDH1A1
SCHEMBL22029294 0.75 PIK3CD (0.43) PIK3CALMNAMAPTNPSR1ALDH1A1
SCHEMBL26694550 0.74 QPCT (0.38) PIK3CALMNAMAPTALDH1A1PIK3CD
SCHEMBL114357 0.73 PIK3CA (0.77) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070925-A1 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS UNIV TEXAS (US) 2026-03-12 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
WO-2024083168-A1 OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-04-25 WO disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 WO 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 (2 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-20260070925-A1 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS NRAS, KRAS, HRAS PIK3CA 66/4885LMNA 3059/4885MAPT 4856/4885
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.