SCHEMBL4422399

SCHEMBL4422399

CSc1nc(Cl)c(C#N)c(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
PPARG P37231 1/20 0.47
HTT P42858 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
ACMSD Q8TDX5 1/20 0.46
MYC P01106 1/20 0.46
WDR5 P61964 1/20 0.46
KDM1A O60341 4/20 0.44
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 2/20 0.42
LMNA P02545 1/20 0.42
ALOX5 P09917 1/20 0.41
PDE4D Q08499 1/20 0.40

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
SCHEMBL4419984 0.86 MYC (0.51) KMT2AALDH1A1MEN1MYCWDR5
SCHEMBL4427518 0.86 MYC (0.46) CYP1A2CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL4426366 0.84 MYC (0.43) CYP1A2CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL4423874 0.81 KMT2A (0.58) CYP1A2CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL27562261 0.79 RXFP1 (0.41) KMT2AALDH1A1MEN1MYCWDR5
SCHEMBL4419260 0.79 BACE1 (0.41) KMT2AALDH1A1MEN1ACMSDMYC
SCHEMBL4422856 0.79 RXFP1 (0.41) KMT2AALDH1A1MEN1MYCWDR5
SCHEMBL4419266 0.79 BACE1 (0.41) KMT2AALDH1A1MEN1ACMSDMYC
SCHEMBL6218562 0.79 KMT2A (0.76) CYP1A2CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL4909305 0.79 ALDH1A1 (0.48) KMT2AALDH1A1MEN1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618963-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2009-11-17 US disclosed
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-7375109-B2 Glycine-substituted thieno[2,3-d]pyrimidines with combined LH and FSH agonistic activity N.V. ORGANON (NL) 2008-05-20 US disclosed
EP-1886999-A2 Bicyclic heteroaromatic compound N.V. Organon (NL) 2008-02-13 EP disclosed
EP-1322651-B1 BICYCLIC HETEROAROMATIC COMPOUNDS ORGANON NV (NL) 2008-01-23 EP disclosed
US-7317006-B2 Thieno[2,3-d]pyrimidines with combined LH and FSH agonistic activity N.V. ORGANON (NL) 2008-01-08 US disclosed
US-7317006-B2 Thieno[2,3-d]pyrimidines with combined LH and FSH agonistic activity N.V. ORGANON (NL) 2008-01-08 US disclosed
US-7317006-B2 Thieno[2,3-d]pyrimidines with combined LH and FSH agonistic activity N.V. ORGANON (NL) 2008-01-08 US disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
US-20070197527-A1 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-08-23 US disclosed
US-20040180907-A1 Glycine-substituted thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity MERCK SHARP & DOHME B.V. (NL) 2004-09-16 US disclosed
US-20040180873-A1 Thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity MERCK SHARP & DOHME B.V. (NL) 2004-09-16 US disclosed
EP-1427734-A1 GLYCINE-SUBSTITUTED THIENO 2,3-d]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY Akzo Nobel N.V. (NL) 2004-06-16 EP disclosed
EP-1427733-A1 THIENO 2,3-D]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY Akzo Nobel N.V. (NL) 2004-06-16 EP disclosed
CN-1462273-A Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2003-12-17 CN disclosed
US-20030225113-A1 Bicyclic heteroaromatic compounds MERCK SHARP & DOHME B.V. (NL) 2003-12-04 US disclosed
EP-1322651-A1 BICYCLIC HETEROAROMATIC COMPOUNDS Akzo Nobel N.V. (NL) 2003-07-02 EP disclosed
WO-2003020727-A1 GLYCINE-SUBSTITUTED THIENO [2,3-d]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY AKZO NOBEL N.V. (NL) 2003-03-13 WO disclosed
WO-2003020726-A1 THIENO[2,3-D]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY AKZO NOBEL N.V. (NL) 2003-03-13 WO disclosed
WO-2002024703-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AKZO NOBEL N.V. (NL) 2002-03-28 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF CYP1A2 1768/4885CYP2C9 1938/4885CYP2C19 2114/4885
US-20030225113-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR CYP1A2 172/4885CYP2C9 234/4885CYP2C19 410/4885
US-20040180907-A1 Glycine-substituted thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR CYP1A2 1910/4885CYP2C9 2680/4885CYP2C19 2110/4885
US-20040180873-A1 Thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR CYP1A2 1846/4885CYP2C9 2105/4885CYP2C19 1344/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR CYP1A2 156/4885CYP2C9 134/4885CYP2C19 225/4885

“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.