Sugi Predict

Sugi Predict / Compounds / SCHEMBL2777071

SCHEMBL2777071

SCHEMBL2777071

Nc1c(F)ccc(F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ HTR2A P28223 4/20 0.34
▸ HTR2C P28335 4/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.32
▸ TSHR P16473 3/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TP53 P04637 2/20 0.31

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
SCHEMBL21479006 0.83 TSHR (0.39) TNFRIPK1HTR2AHTR2CHTR2B
SCHEMBL11295339 0.83 TSHR (0.39) TNFRIPK1HTR2AHTR2CALDH1A1
SCHEMBL38652501 0.83 ALDH1A1 (0.40) TNFRIPK1ALDH1A1TSHRCYP3A4
SCHEMBL2505365 0.83 ALDH1A1 (0.40) TNFRIPK1HTR2AHTR2CHTR2B
SCHEMBL14784534 0.79 MAPK1 (0.43) ALDH1A1TSHRCYP3A4SMN1; SMN2ALOX15
SCHEMBL20595059 0.79 PTGER4 (0.41) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL21603392 0.79 CYP3A4 (0.43) TNFRIPK1HTR2AHTR2CALDH1A1
SCHEMBL31466146 0.79 PTGER4 (0.41) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL29069647 0.79 CA1 (0.31) CA1CA2CA9
SCHEMBL5678498 0.79 PTGER4 (0.33) TNFRIPK1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3532474-B1 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AG (DE) 2024-03-27 — — EP disclosed
CN-114921391-B 4, 5-cyclic 1,2, 4-triazolones 拜耳股份有限公司 2024-01-02 — — CN disclosed
US-11787797-B2 4,5-annulated 1,2,4-triazolones BAYER AKTIENGESELLSCHAFT (DE) 2023-10-17 — — US disclosed
CN-114921391-A 4, 5-Cyclic 1,2, 4-triazolones 拜耳股份有限公司 2022-08-19 — — CN disclosed
CN-110248937-B 4, 5-Cyclic 1,2, 4-triazolones 拜耳股份有限公司 2022-03-29 — — CN disclosed
US-20210188846-A1 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AKTIENGESELLSCHAFT (DE) 2021-06-24 — — US disclosed
US-10968216-B2 4,5-annulated 1,2,4-triazolones BAYER AKTIENGESELLSCHAFT (DE) 2021-04-06 — — US disclosed
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 — — EP disclosed
EP-3532474-A2 4,5-ANNULATED 1,2,4-TRIAZOLONES Bayer AG (DE) 2019-09-04 — — EP disclosed
WO-2018077944-A2 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AKTIENGESELLSCHAFT (DE) 2018-05-03 — — WO disclosed
US-8921378-B2 Androgen receptor modulating carboxamides ORION CORPORATION (FI) 2014-12-30 — — US disclosed
EP-2699561-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES Orion Corporation (FI) 2014-02-26 — — EP disclosed
WO-2012143599-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORPORATION (FI) 2012-10-26 — — WO disclosed
EP-2147915-B1 New cycloalkylated benzothiadiazine derivatives, method of preparing same and pharmaceutical compositions containing them SERVIER LAB (FR) 2010-09-15 — — EP disclosed
US-7741320-B2 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-06-22 — — US disclosed
EP-2147915-A1 New cycloalkylated benzothiadiazine derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2010-01-27 — — EP disclosed
US-20100009974-A1 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compostions containing them LES LABORATOIRES SERVIER (FR) 2010-01-14 — — US disclosed
WO-2010004139-A1 NEW CYCLOALKYLATED BENZOTHIADIAZINE DERIVATIVES, METHOD FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2010-01-14 — — WO disclosed
US-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 — — US disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 — — 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 (5 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-20210188846-A1 4,5-ANNULATED 1,2,4-TRIAZOLONES CCNA1, CCNT1, CCND2 TNF 896/4885RIPK1 2490/4885HTR2A 3632/4885
US-10968216-B2 4,5-annulated 1,2,4-triazolones CCNA1, CCNT1, CCND2 TNF 896/4885RIPK1 2490/4885HTR2A 3632/4885
US-11787797-B2 4,5-annulated 1,2,4-triazolones CCNA1, CCNT1, CCND2 TNF 896/4885RIPK1 2490/4885HTR2A 3632/4885
US-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 TNF 3199/4885RIPK1 3006/4885HTR2A 263/4885
US-20100009974-A1 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compostions containing them ACLY, HCAR1, GABRG1 TNF 1790/4885RIPK1 3791/4885HTR2A 74/4885

“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.