SCHEMBL120014

SCHEMBL120014

N#Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.84
KEAP1 Q14145 1/20 0.69
CA12 O43570 2/20 0.64
CA9 Q16790 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
ATM Q13315 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 3/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
OPRK1 P41145 1/20 0.56
AR P10275 1/20 0.56
LMNA P02545 2/20 0.55
LSS P48449 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
NAMPT P43490 1/20 0.54
SLC12A2 P55011 1/20 0.54

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
SCHEMBL4662881 0.94 CYP19A1 (0.84) CYP19A1KEAP1CA12CA9CYP1A2
SCHEMBL28685963 0.86 CYP19A1 (0.68) CYP19A1KEAP1CA12CA9CYP1A2
SCHEMBL5783946 0.84 CYP19A1 (0.79) CYP19A1ALDH1A1LMNASMN1; SMN2NAMPT
SCHEMBL20946444 0.84 CYP19A1 (0.85) CYP19A1KEAP1CA12CA9CA1
SCHEMBL1169440 0.84 CYP19A1 (0.85) CYP19A1ALDH1A1LMNALSSKDM4E
SCHEMBL533496 0.84 CYP19A1 (0.85) CYP19A1CA9CYP1A2CYP3A4ALDH1A1
SCHEMBL4019035 0.83 CYP19A1 (0.65) CYP19A1KEAP1CA12CA9CYP1A2
SCHEMBL407414 0.82 KEAP1 (1.00) KEAP1CA12CA9CYP1A2CYP3A4
SCHEMBL7983897 0.82 CYP19A1 (0.80) CYP19A1CA12CA9ALDH1A1CA1
SCHEMBL17690441 0.82 CYP19A1 (0.80) CYP19A1CA12CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 EP disclosed
CN-110194738-B Preparation method of 1,2, 3-trisubstituted 4-quinolone derivative 华侨大学 2022-04-05 CN disclosed
CN-109311882-B Adenine derivatives as protein kinase inhibitors BCI制药公司 2022-02-11 CN disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 US disclosed
EP-3452477-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. Pharma (BE) 2019-03-13 EP disclosed
CN-109311882-A adenine derivatives as protein kinase inhibitors BCI制药公司 2019-02-05 CN disclosed
WO-2017191297-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS BCI PHARMA (FR) 2017-11-09 WO disclosed
US-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-19 US disclosed
EP-2424517-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RaQualia Pharma Inc (JP) 2012-03-07 EP disclosed
WO-2010125831-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2010-11-04 WO disclosed
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
US-7067541-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2006-06-27 US disclosed
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-06 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 (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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 CYP19A1 2848/4885KEAP1 1557/4885CA12 4789/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 CYP19A1 2848/4885KEAP1 1557/4885CA12 4789/4885
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 CYP19A1 510/4885KEAP1 342/4885CA12 3053/4885
US-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM5, TRPM6 CYP19A1 3568/4885KEAP1 1959/4885CA12 1502/4885

“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.