SCHEMBL2990041

SCHEMBL2990041

CN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
PYCR1 P32322 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP3A4 P08684 2/20 0.50
LMNA P02545 2/20 0.48
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CYP19A1 P11511 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
ACHE P22303 1/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CHRNB2 P17787 1/20 0.44

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
SCHEMBL1937393 0.87 TSHR (0.50) TSHRPYCR1CYP1A2CYP2C19CYP2D6
SCHEMBL1937002 0.87 CYP1A2 (0.55) TSHRPYCR1CYP1A2CYP2C19CYP2D6
SCHEMBL4431155 0.86 CYP1A2 (0.57) TSHRPYCR1CYP1A2CYP2C19CYP2D6
SCHEMBL14039780 0.84 PYCR1 (0.37) TSHRPYCR1CYP1A2CYP2C19CYP2D6
SCHEMBL4435868 0.83 ALDH1A1 (0.55) TSHRPYCR1CYP1A2CYP2C19CYP2D6
SCHEMBL10499065 0.82 PYCR1 (0.51) TSHRPYCR1CYP1A2CYP2C19CYP2D6
SCHEMBL10478654 0.82 MAOB (0.49) TSHRPYCR1CYP1A2CYP2C19CYP2D6
SCHEMBL1016551 0.82 TSHR (0.59) TSHRPYCR1CYP1A2CYP2C19CYP2D6
SCHEMBL7131786 0.82 TSHR (0.62) TSHRCYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL10478556 0.81 ALDH1A1 (0.45) TSHRPYCR1CYP1A2CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 US disclosed
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-08-10 US disclosed
WO-2016035008-A1 PYRIDOPYRIMIDINE DERIVATIVES AS MEK INHIBITORS LUPIN LIMITED (IN) 2016-03-10 WO disclosed
WO-2016035008-A1 PYRIDOPYRIMIDINE DERIVATIVES AS MEK INHIBITORS LUPIN LIMITED (IN) 2016-03-10 WO disclosed
EP-2137164-B1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-08-26 EP disclosed
EP-2137164-B1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-08-26 EP disclosed
US-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-19 US disclosed
US-8507498-B2 4, 6-disubstituted aminopyrimidine derivatives as inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-13 US disclosed
US-8507498-B2 4, 6-disubstituted aminopyrimidine derivatives as inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-13 US disclosed
US-8389521-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-03-05 US disclosed
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2011-12-15 US disclosed
US-20100184780-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2010-07-22 US disclosed
US-20100184780-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2010-07-22 US disclosed
EP-2137166-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP disclosed
EP-2137164-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP disclosed
WO-2008132138-A1 DERIVATIVES OF 4,6-DISUBSTITUTED AMINOPYRIMIDINES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-11-06 WO disclosed
US-20080275063-A1 C-{4-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-N-propyl-methanesulfonamide; antiinflammatories, antiproliferatives, analgesics; cardiovascular disorders, neurodegenerative diseases; immunotherapy ASTRAZENECA AB (SE) 2008-11-06 US disclosed
US-20080275063-A1 C-{4-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-N-propyl-methanesulfonamide; antiinflammatories, antiproliferatives, analgesics; cardiovascular disorders, neurodegenerative diseases; immunotherapy ASTRAZENECA AB (SE) 2008-11-06 US disclosed
WO-2008129069-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 WO disclosed
WO-2008129080-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 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 (6 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-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK2, CDK6, CDK5 TSHR 4602/4885PYCR1 1532/4885CYP1A2 3578/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 TSHR 4626/4885PYCR1 1705/4885CYP1A2 2965/4885
US-20100184780-A1 INHIBITORS OF PROTEIN KINASES CDK5, CDK5R1, CDK1 TSHR 4576/4885PYCR1 2607/4885CYP1A2 4190/4885
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT TSHR 1353/4885PYCR1 2796/4885CYP1A2 4398/4885
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT TSHR 3503/4885PYCR1 3589/4885CYP1A2 4384/4885
US-20080275063-A1 C-{4-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-N-propyl-methanesulfonamide; antiinflammatories, antiproliferatives, analgesics; cardiovascular disorders, neurodegenerative diseases; immunotherapy CDK5, CDK5R1, CDK4 TSHR 4690/4885PYCR1 1792/4885CYP1A2 4545/4885

“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.