Sugi Predict

Sugi Predict / Compounds / SCHEMBL8514447

SCHEMBL8514447

SCHEMBL8514447

NC(CO)c1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 5/20 0.43
▸ PSEN2 P49810 5/20 0.43
▸ APH1B Q8WW43 5/20 0.43
▸ NCSTN Q92542 5/20 0.43
▸ APH1A Q96BI3 5/20 0.43
▸ PSENEN Q9NZ42 5/20 0.43
▸ CES2 O00748 3/20 0.43
▸ CES1 P23141 3/20 0.43
▸ DPP4 P27487 4/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ADRA2C P18825 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34

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
SCHEMBL8514443 1.00 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12492814 0.85 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8513268 0.84 CES2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4876509 0.84 CES2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL1440966 0.82 IDO1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29270304 0.82 CA3 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29270305 0.82 CA3 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8514125 0.82 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8514128 0.82 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL1440962 0.82 IDO1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551859-B Aza condensed ring amide compound and application thereof 石药集团中奇制药技术（石家庄）有限公司 2024-08-27 — — CN disclosed
US-20230227460-A1 FUSED AZA-HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD (CN) 2023-07-20 — — US disclosed
US-20230227460-A1 FUSED AZA-HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD (CN) 2023-07-20 — — US disclosed
US-20230227460-A1 FUSED AZA-HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD (CN) 2023-07-20 — — US disclosed
WO-2023083362-A1 DRUG FOR TREATING TUMORS 石药集团中奇制药技术（石家庄）有限公司 2023-05-19 — — WO disclosed
WO-2023083362-A1 DRUG FOR TREATING TUMORS 石药集团中奇制药技术（石家庄）有限公司 2023-05-19 — — WO disclosed
CN-116115618-A Medicine for treating tumor 石药集团中奇制药技术（石家庄）有限公司 2023-05-16 — — CN disclosed
EP-4151635-A1 FUSED AZA-HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2023-03-22 — — EP disclosed
CN-115551859-A Aza condensed ring amide compound and application thereof 石药集团中奇制药技术（石家庄）有限公司 2022-12-30 — — CN disclosed
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor MEDSHINE DISCOVERY INC. (CN) 2022-05-31 — — US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 — — US disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 — — WO disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 — — WO disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 — — US disclosed
EP-2643313-B1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2016-06-29 — — EP disclosed
CN-103228649-B Quinazoline methane amide azetidine MERCK PATENT GMBH (DE) 2015-11-25 — — CN disclosed
US-8946247-B2 Quinazoline carboxamide azetidines MERCK PATENT GMBH (DE) 2015-02-03 — — US disclosed
EP-2643313-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES Merck Patent GmbH (DE) 2013-10-02 — — EP disclosed
US-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2013-09-26 — — US disclosed
WO-2012069146-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2012-05-31 — — 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 (4 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 PSEN1 3579/4885PSEN2 4208/4885APH1B 1631/4885
US-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES AZI2, NQO2, ABL1 PSEN1 2838/4885PSEN2 2872/4885APH1B 1332/4885
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor ROCK1, ROCK2, CIT PSEN1 3961/4885PSEN2 4378/4885APH1B 4829/4885
US-20230227460-A1 FUSED AZA-HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF ROS1, ALK, ROR1 PSEN1 2454/4885PSEN2 3815/4885APH1B 4177/4885

“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.