Sugi Predict

Sugi Predict / Compounds / SCHEMBL1702849

SCHEMBL1702849

SCHEMBL1702849

CC(=C(C#N)C#N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.56
▸ ESR1 P03372 1/20 0.54
▸ CYP19A1 P11511 1/20 0.54
▸ ESR2 Q92731 1/20 0.54
▸ CES1 P23141 2/20 0.50
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ MAPT P10636 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MMP14 P50281 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL23727567 0.80 MAPK1 (0.54) MAPK1ESR1CYP19A1ESR2CES1
SCHEMBL4474269 0.80 TDP1 (0.55) MAPK1CES1CA1CA2TDP1
SCHEMBL4485881 0.79 ALDH1A1 (0.56) MAPK1CES1CA1CA2TDP1
SCHEMBL4472665 0.79 TSHR (0.56) MAPK1CES1CA1CA2TDP1
SCHEMBL8125164 0.78 MAPK1 (0.47) MAPK1CES1CA1CA2TDP1
SCHEMBL4468183 0.78 ESR1 (0.57) MAPK1ESR1CYP19A1ESR2CES1
SCHEMBL1319438 0.78 MAPT (0.48) MAPK1CES1CA1CA2TDP1
SCHEMBL11707514 0.76 MAPK1 (0.62) MAPK1ESR1CYP19A1ESR2CES1
SCHEMBL18863026 0.76 MAPK1 (0.62) MAPK1ESR1CYP19A1ESR2CES1
SCHEMBL7918197 0.76 CES1 (0.61) MAPK1CES1CA1CA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140084578-A1 AZO COMPOUND, AQUEOUS SOLUTION, INK COMPOSITION, INK FOR INKJET RECORDING, INKJET RECORDING METHOD, INK CARTRIDGE FOR INKJET RECORDING, AND INKJET RECORDED MATERIAL FUJIFILM CORPORATION (JP) 2014-03-27 — — US disclosed
US-20140084578-A1 AZO COMPOUND, AQUEOUS SOLUTION, INK COMPOSITION, INK FOR INKJET RECORDING, INKJET RECORDING METHOD, INK CARTRIDGE FOR INKJET RECORDING, AND INKJET RECORDED MATERIAL FUJIFILM CORPORATION (JP) 2014-03-27 — — US disclosed
EP-1487841-B1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBVIE INC (US) 2014-01-15 — — EP disclosed
EP-1807424-B1 NOVEL KINASE INHIBITORS ABBOTT LAB (US) 2012-04-18 — — EP disclosed
US-7812166-B2 Kinase inhibitors ABBOTT LABORATORIES (US) 2010-10-12 — — US disclosed
CN-101041648-B Inverse type-1,2-cyclopropane derivative and preparation method thereof UNIV SHANGHAI 2010-08-18 — — CN disclosed
US-7560552-B2 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES (US) 2009-07-14 — — US disclosed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 — — US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 — — US disclosed
CN-101041648-A Inverse type-1,2-cyclopropane derivative and preparation method thereof UNIV SHANGHAI (CN) 2007-09-26 — — CN disclosed
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors MICHAELIDES MICHAEL R 2006-12-07 — — US disclosed
US-20060178378-A1 Novel kinase inhibitors ABBVIE INC. 2006-08-10 — — US disclosed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 — — EP disclosed
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBVIE INC. 2004-01-22 — — US disclosed
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-12-04 — — US disclosed
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-09-25 — — US disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 — — 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 (7 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-20060178378-A1 Novel kinase inhibitors ABL1, MAP3K19, MAP3K20 MAPK1 165/4885ESR1 2276/4885CYP19A1 1632/4885
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK MAPK1 212/4885ESR1 2678/4885CYP19A1 2360/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 MAPK1 436/4885ESR1 2648/4885CYP19A1 3178/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK MAPK1 212/4885ESR1 2678/4885CYP19A1 2360/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK MAPK1 185/4885ESR1 2781/4885CYP19A1 2314/4885
US-20050004142-A1 Chemical compounds TIE1, KDR, TEK MAPK1 1410/4885ESR1 1147/4885CYP19A1 1139/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR MAPK1 2207/4885ESR1 1783/4885CYP19A1 1830/4885

“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.