Sugi Predict

Sugi Predict / Compounds / SCHEMBL3322567

SCHEMBL3322567

SCHEMBL3322567

O=[N+]([O-])c1c(F)cc(OC(F)F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ MAPT P10636 5/20 0.35
▸ HTT P42858 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH3A1 P30838 1/20 0.35
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ ATM Q13315 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ GRIN2D O15399 4/20 0.33
▸ GRIN3B O60391 4/20 0.33
▸ GRIN1 Q05586 4/20 0.33
▸ GRIN2A Q12879 4/20 0.33
▸ GRIN2B Q13224 4/20 0.33
▸ GRIN2C Q14957 4/20 0.33
▸ GRIN3A Q8TCU5 4/20 0.33

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
SCHEMBL27163282 0.84 ALDH3A1 (0.39) MEN1KMT2AMAPTHTTLMNA
SCHEMBL14334416 0.83 CYP19A1 (0.39) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL28334659 0.79 KMT2A (0.46) MEN1KMT2AMAPTHTTLMNA
SCHEMBL692339 0.77 ATM (0.55) MEN1KMT2AMAPTHTTLMNA
SCHEMBL30977610 0.77 ATM (0.55) MEN1KMT2AMAPTHTTLMNA
SCHEMBL971178 0.76 GRIN2D (0.44) MEN1KMT2AMAPTMAPK1RAB9A
SCHEMBL3325744 0.75 MEN1 (0.33) MEN1KMT2AMAPTHTTLMNA
SCHEMBL29739327 0.74 HSPB1 (0.41) MEN1KMT2AMAPTHTTLMNA
SCHEMBL19950442 0.74 HSPB1 (0.41) MEN1KMT2AMAPTHTTLMNA
SCHEMBL18398574 0.74 MAPT (0.33) MEN1KMT2AMAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262842-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME LLC 2024-08-08 — — US disclosed
EP-4329749-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT Merck Sharp & Dohme LLC (US) 2024-03-06 — — EP disclosed
WO-2022232318-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-11-03 — — WO disclosed
WO-2010054260-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOTIE THERAPIES GMBH (DE) 2010-05-14 — — WO disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 — — US disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 — — US disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 — — 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 (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-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES PDE2A, PDE5A, PDE3A MEN1 3332/4885KMT2A 1501/4885MAPT 3773/4885
US-20240262842-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT KRAS, NRAS, HRAS MEN1 237/4885KMT2A 1677/4885MAPT 4668/4885

“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.