SCHEMBL18152933

SCHEMBL18152933

Nc1ccc(Cl)c(F)c1Br

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.36
CYP3A4 P08684 5/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
IMPDH2 P12268 1/20 0.31
ADORA2A P29274 1/20 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
Trifluoroacetic Acid SCHEMBL22123861 0.84 KDM4E (0.33) CYP3A4ALDH1A1
SCHEMBL16636894 0.81 TSHR (0.37) TSHRCYP3A4TP53ALDH1A1MAPK1
SCHEMBL17649942 0.77 TSHR (0.40) TSHRCYP3A4TP53ALDH1A1MAPK1
SCHEMBL18797486 0.75 TP53 (0.32) TP53
SCHEMBL29539928 0.75 TP53 (0.32) TP53
SCHEMBL3818037 0.75 TSHR (0.39) TSHRCYP3A4TP53ALDH1A1MAPK1
SCHEMBL17276042 0.75 TSHR (0.39) TSHRCYP3A4TP53ALDH1A1MAPK1
SCHEMBL10990892 0.75 TSHR (0.39) TSHRCYP3A4TP53ALDH1A1MAPK1
SCHEMBL5730841 0.75 ALDH1A1 (0.39) ALDH1A1CA12CA1CA2CA7
SCHEMBL23336763 0.73 PNMT (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114040914-B Quinazolinone derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-10-22 CN disclosed
US-20240173310-A1 PHARMACEUTICAL DOSAGE FORMS COMPRISING (4S)-24-CHLORO-4-ETHYL-73-FLUORO-35-METHOXY-32,5-DIOXO-14-(TRIFLUOROMETHYL)-32H-6-AZA-3(4,1)-PYRIDINA-1(1)-[1,2,3]TRIAZOLA-2(1,2),7(1)-DIBENZENAHEPTAPHANE-74-CARBOXAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 US disclosed
US-20240174633-A1 CRYSTALLINE FORMS OF (4S)-24-CHLORO-4-ETHYL-73-FLUORO-35-METHOXY-32,5-DIOXO-14-(TRIFLUORO-METHYL)-32H-6-AZA-3(4,1)-PYRIDINA-1(1)-[1,2,3]TRIAZOLA-2(1,2),7(1)-DIBENZENAHEPTAPHANE-74-CARBOXAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 US disclosed
EP-4304714-A1 CRYSTALLINE FORMS OF (4S)-2 4-CHLORO-4-ETHYL-7 3-FLUORO-3 5-METHOXY-3 2,5-DIOXO-1 4-(TRIFLUOROMETHYL)-3 2H-6-AZA-3(4,1)-PYRIDINA-1(1)-[1,2,3]TRIAZOLA-2(1,2),7(1)-5 DIBENZENAHEPTAPHANE-7 4-CARBOXAMIDE Bayer Aktiengesellschaft (DE) 2024-01-17 EP disclosed
EP-4304561-A1 PHARMACEUTICAL DOSAGE FORMS COMPRISING (4S)-24-CHLORO-4-ETHYL-73-FLUORO-35-METHOXY-32,5- DIOXO-14-(TRIFLUOROMETHYL)-32H-6-AZA-3(4,1)-PYRIDINA-1(1)-[1,2,3]TRIAZOLA-2(1,2),7(1)- DIBENZENAHEPTAPHANE-74-CARBOXAMIDE Bayer Aktiengesellschaft (DE) 2024-01-17 EP disclosed
CN-117337170-A Comprises (4S) -2 4 -chloro-4-ethyl-7 3 -fluoro-3 5 -methoxy-3 2 5-dioxo-1 4 - (trifluoromethyl) -3 2 H-6-aza-3 (4, 1) -pyridine-1 (1) - [1,2,3]Triazole-2 (1, 2), 7 (1) -diphenyl heptatomato-7 4 Pharmaceutical dosage form of formamide 拜耳公司 2024-01-02 CN disclosed
CN-117015535-A (4S)-2 4 -chloro-4-ethyl-7 3 -fluoro-3 5 -methoxy-3 2 5-dioxo-1 4 - (trifluoromethyl) -3 2 H-6-aza-3 (4, 1) -pyridine-1 (1) - [1,2,3]Triazole-2 (1, 2), 7 (1) -5-diphenylheptane-7 4 Crystalline forms of formamide 拜耳公司 2023-11-07 CN disclosed
CN-112430234-B Novel KRAS G12C protein inhibitor and preparation method and application thereof 信达生物制药(苏州)有限公司 2023-04-28 CN disclosed
WO-2022189279-A1 CRYSTALLINE FORMS OF (4S)-24-CHLORO-4-ETHYL-73-FLUORO-35-METHOXY-32,5-DIOXO-14-(TRIFLUOROMETHYL)-32H-6-AZA-3(4,1)-PYRIDINA-1(1)-[1,2,3]TRIAZOLA-2(1,2),7(1)-5 DIBENZENAHEPTAPHANE-74-CARBOXAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2022-09-15 WO disclosed
WO-2022189280-A1 SOLVATES OF (4S)-24-CHLORO-4-ETHYL-73-FLUORO-35-METHOXY-32,5-DIOXO-14-(TRIFLUORO-METHYL)-32 H-6- AZA-3(4,1)-PYRIDINA-1(1)-[1,2,3]TRIAZOLA-2(1,2),7(1)-DIBENZENAHEPTAPHANE-74-CARBOXAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2022-09-15 WO disclosed
US-20180339977-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-11-29 US disclosed
US-10081617-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-25 US disclosed
EP-3368036-A1 FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-09-05 EP disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
EP-3283464-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-21 EP disclosed
WO-2017074832-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-05-04 WO disclosed
WO-2016168098-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 WO disclosed
WO-2016168098-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 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 (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-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI TSHR 3525/4885CYP3A4 1646/4885TP53 4599/4885
US-20240174633-A1 CRYSTALLINE FORMS OF (4S)-24-CHLORO-4-ETHYL-73-FLUORO-35-METHOXY-32,5-DIOXO-14-(TRIFLUORO-METHYL)-32H-6-AZA-3(4,1)-PYRIDINA-1(1)-[1,2,3]TRIAZOLA-2(1,2),7(1)-DIBENZENAHEPTAPHANE-74-CARBOXAMIDE CYP4F2, CYP4F8, CYP4F12 TSHR 1087/4885CYP3A4 21/4885TP53 2549/4885
US-20240173310-A1 PHARMACEUTICAL DOSAGE FORMS COMPRISING (4S)-24-CHLORO-4-ETHYL-73-FLUORO-35-METHOXY-32,5-DIOXO-14-(TRIFLUOROMETHYL)-32H-6-AZA-3(4,1)-PYRIDINA-1(1)-[1,2,3]TRIAZOLA-2(1,2),7(1)-DIBENZENAHEPTAPHANE-74-CARBOXAMIDE CYP4F8, CYP4F2, CYP2F1 TSHR 2381/4885CYP3A4 13/4885TP53 4656/4885
US-20180339977-A1 FACTOR XIA INHIBITORS F11, SERPINC1, TFPI TSHR 3448/4885CYP3A4 1711/4885TP53 4565/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI TSHR 3525/4885CYP3A4 1646/4885TP53 4599/4885

“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.