SCHEMBL1990223

SCHEMBL1990223

O=S(=O)(Nc1ccncc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.73
IL1RN P18510 1/20 0.73
ERAP1 Q9NZ08 1/20 0.73
KMT2A Q03164 6/20 0.68
ALDH1A1 P00352 4/20 0.68
MEN1 O00255 4/20 0.68
PKM P14618 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.65
USP2 O75604 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.62
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
PGR P06401 1/20 0.58
NR1I2 O75469 1/20 0.57
LMNA P02545 1/20 0.56

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
SCHEMBL18424409 0.92 KEAP1 (0.73) KEAP1IL1RNERAP1KMT2AALDH1A1
SCHEMBL17311791 0.87 MEN1 (0.68) KEAP1IL1RNERAP1KMT2AALDH1A1
SCHEMBL25031372 0.85 KEAP1 (1.00) KEAP1IL1RNERAP1KMT2AALDH1A1
SCHEMBL810795 0.85 KMT2A (0.91) KEAP1IL1RNERAP1KMT2AALDH1A1
Phenyl(Phenylsulfonyl)Amine SCHEMBL114765 0.85 KEAP1 (1.00) KEAP1IL1RNERAP1KMT2AALDH1A1
SCHEMBL30828581 0.84 ALDH1A1 (0.73) KMT2AALDH1A1MEN1PKMSMN1; SMN2
SCHEMBL2565637 0.83 KEAP1 (0.64) KEAP1KMT2AALDH1A1MEN1SMN1; SMN2
Phenyl(Phenylsulfonyl)Amine SCHEMBL6399560 0.83 KEAP1 (0.95) KEAP1IL1RNERAP1KMT2AALDH1A1
Phenyl(Phenylsulfonyl)Amine SCHEMBL11513007 0.83 KEAP1 (0.95) KEAP1IL1RNERAP1KMT2AALDH1A1
Phenyl(Phenylsulfonyl)Amine SCHEMBL27503772 0.83 KEAP1 (0.95) KEAP1IL1RNERAP1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354407-B2 2-anilino-4-(heterocyclic)amino-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US claimed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US claimed
CN-101506175-A 2-anilino-4-(heterocyclic)amino-pyrimidines as inhibitors of protein kinase C-alpha BOEHRINGER INGELHEIM INT (DE) 2009-08-12 CN claimed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US claimed
US-8354407-B2 2-anilino-4-(heterocyclic)amino-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
EP-2512242-A1 NOVEL COMPOUNDS Glaxo Wellcome Manufacturing Pte Ltd (SG) 2012-10-24 EP disclosed
WO-2011075559-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2011-06-23 WO disclosed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US disclosed
CN-101506175-A 2-anilino-4-(heterocyclic)amino-pyrimidines as inhibitors of protein kinase C-alpha BOEHRINGER INGELHEIM INT (DE) 2009-08-12 CN disclosed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US disclosed
EP-1599477-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-30 EP disclosed
WO-2004074288-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 WO disclosed
CN-1123573-C 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER AG (DE) 2003-10-08 CN 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-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines PRKCA, PRKCG, PRKCH KEAP1 1627/4885IL1RN 2371/4885ERAP1 897/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH KEAP1 1627/4885IL1RN 2371/4885ERAP1 897/4885

“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.