SCHEMBL13723487

SCHEMBL13723487

CSCc1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ HTT P42858 4/20 0.37
▸ POLB P06746 3/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ PGR P06401 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ SLC29A1 Q99808 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL14784934 0.83 POLB (0.39) TSHRHTTPOLBCYP19A1PGR
SCHEMBL18433800 0.83 LMNA (0.32) LMNA
SCHEMBL19220255 0.83 LMNA (0.35) LMNA
SCHEMBL15649642 0.81 MAPT (0.42) TSHRHTTPOLBCYP19A1PGR
SCHEMBL17164402 0.79 MEN1 (0.43) TSHRHTTPOLBCYP19A1MAPT
SCHEMBL13722908 0.79 CYP1A2 (0.44) TSHRHTTPOLBCYP19A1MAPT
SCHEMBL18703862 0.79 MAPT (0.50) TSHRHTTPOLBCYP19A1MAPT
SCHEMBL16327649 0.78 CYP19A1 (0.41) TSHRHTTPOLBCYP19A1PGR
SCHEMBL15719607 0.78 LMNA (0.44) TSHRHTTPOLBMAPTMEN1
SCHEMBL14785329 0.78 CXCR4 (0.34) TSHRHTTPOLBCYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368129-B Modified macrocyclic compounds 拜耳医药股份有限公司 2021-08-17 — — CN disclosed
EP-3359544-B1 NOVEL MODIFIED MACROCYCLIC COMPOUNDS Bayer Pharma AG (DE) 2020-08-12 — — EP disclosed
CN-107001341-B Fluorinated benzofuranyl-pyrimidine derivatives containing a sulfoximine group 拜耳医药股份有限公司 2020-08-07 — — CN disclosed
EP-3126338-B1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFONDIIMINE GROUP Bayer Pharma AG (DE) 2019-09-04 — — EP disclosed
EP-3207037-B1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SULFONE GROUP Bayer Pharma AG (DE) 2019-01-23 — — EP disclosed
EP-3207037-B1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SULFONE GROUP Bayer Pharma AG (DE) 2019-01-23 — — EP disclosed
US-20180282346-A1 NOVEL MODIFIED MACROCYCLIC COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-10-04 — — US disclosed
EP-3207038-B1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP Bayer Pharma AG (DE) 2018-08-22 — — EP disclosed
US-9962389-B2 4-aryl-N-phenyl-1,3,5-triazin-2-amines containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-08 — — US disclosed
US-9962389-B2 4-aryl-N-phenyl-1,3,5-triazin-2-amines containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-08 — — US disclosed
EP-2699554-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES Bayer Intellectual Property GmbH (DE) 2014-02-26 — — EP disclosed
US-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-13 — — US disclosed
US-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-13 — — US disclosed
WO-2013037896-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-21 — — WO disclosed
WO-2013037896-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-21 — — WO disclosed
WO-2013037894-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-21 — — WO disclosed
WO-2013037894-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-21 — — WO disclosed
WO-2012160034-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 — — WO disclosed
WO-2012160034-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 — — WO disclosed
WO-2012143399-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 — — 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 (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-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES PAH, NAT1, H1-5 TSHR 1255/4885HTT 564/4885POLB 236/4885
US-20180282346-A1 NOVEL MODIFIED MACROCYCLIC COMPOUNDS PCNA, CYP11B2, CYP11B1 TSHR 2618/4885HTT 2333/4885POLB 398/4885

“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.

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