SCHEMBL29936876

SCHEMBL29936876

Cc1c(C(F)(F)F)cnc(N)c1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MPL P40238 2/20 0.33
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
PIK3CA P42336 2/20 0.32
MAP3K12 Q12852 3/20 0.31
PIK3CD O00329 1/20 0.30
ASPH Q12797 1/20 0.30
MTOR P42345 1/20 0.30

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
Formic Acid SCHEMBL31491067 0.90 PIK3CA (0.33) PIK3CAMAP3K12ASPH
SCHEMBL31214202 0.83 HPGD (0.36) HPGDHSD17B10AURKAKDRAURKB
SCHEMBL13973112 0.83 HPGD (0.36) HPGDHSD17B10AURKAKDRAURKB
SCHEMBL29435785 0.82 MBOAT4 (0.36) HPGDHSD17B10AURKAKDRAURKB
SCHEMBL9276814 0.82 MBOAT4 (0.36) HPGDHSD17B10AURKAKDRAURKB
Ammonia Solution, Strong SCHEMBL16280437 0.80 MBOAT4 (0.35) HPGDHSD17B10AURKAKDRAURKB
SCHEMBL31372473 0.79 ASPH (0.32) ASPH
SCHEMBL31240982 0.78 LMNA (0.38) HPGDHSD17B10AURKAKDRAURKB
SCHEMBL21606876 0.78 PIK3CD (0.36) HPGDHSD17B10AURKAKDRAURKB
SCHEMBL6739221 0.78 ASPH (0.34) AURKAASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049274-A2 TETRACYCLIC DERIVATIVES, COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
EP-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 EP disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 WO disclosed
WO-2022216762-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2022-10-13 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 (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 HPGD 816/4885HSD17B10 4468/4885MPL 753/4885

“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.