SCHEMBL4075179

SCHEMBL4075179

N#Cc1sc(-c2ccc(F)cc2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.51
CHUK O15111 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39

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
SCHEMBL1843875 0.82 IKBKB (0.49) IKBKBCYP1A2CYP3A4CYP2C9KDM4E
SCHEMBL3592428 0.70 PTGS1 (0.41) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL28178505 0.69 IKBKB (0.36) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL4973860 0.69 IKBKB (0.55) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL2313705 0.68 IKBKB (0.77) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL4091841 0.68 IKBKB (1.00) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL1852196 0.68 MYC (0.61) CHUKCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL1724239 0.67 IKBKB (1.00) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL5157995 0.66
SCHEMBL3325856 0.66 IKBKB (0.38) IKBKBCHUKCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105541866-B 2 (4 fluorophenyl) 7 H thiophene [3 ', 2 ':4,5] the ketone heterocyclic compound of pyrimidine [6,1 b] quinazoline 7 and its synthetic method 山东益康药业股份有限公司 2017-08-25 CN disclosed
CN-105541866-A 2-(4-fluorophenyl)-7-H-thiophene[3minute,2minute:4,5]pyrimidine[6,1-b]quinazoline-7-keto heterocyclic compound and synthetic method thereof Shandong yikang pharmaceutical co ltd 2016-05-04 CN disclosed
CN-105541865-A 2,3,5-substituted imidazole[1,2-c]-thiophene[2,3-e]-7(8H)keto heterocyclic compound and synthetic method thereof Shandong yikang pharmaceutical co ltd 2016-05-04 CN disclosed
CN-105481879-A Imidazole[1,2-c]-thiophene[2,3-e]pyrimidine-7(8H)ketone heterocyclic compound and synthesis method thereof Shandong yikang pharmaceutical co ltd 2016-04-13 CN disclosed
US-8883781-B2 Thienopyrimidines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
CN-101500575-A Thienopyrimidines useful as modulators of ion channels VERTEX PHARMA (US) 2009-08-05 CN disclosed
EP-2043654-A2 THIENOPYRIMIDINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2009-04-08 EP disclosed
EP-1597247-B1 SUBSTITUTED 3-(BENZOYLUREIDO)-THIOPHENE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2008-07-23 EP disclosed
WO-2007146284-A2 THIENOPYRIMIDINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-21 WO disclosed
US-20070287717-A1 Thienopyrimidines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-12-13 US disclosed
US-7196114-B2 Substituted 3-(benzoylureido) thiophene derivatives, processes for preparing them and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-27 US disclosed
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
EP-1597247-A1 SUBSTITUTED 3-(BENZOYLUREIDO)-THIOPHENE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
US-20040198742-A1 Substituted 3-(benzoylureido) thiophene derivatives, processes for preparing them and their use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
WO-2004072060-A1 SUBSTITUTED 3-(BENZOYLUREIDO)-THIOPHENE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 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 (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-20070287717-A1 Thienopyrimidines useful as modulators of ion channels KCNJ1, KCNJ2, TRPV1 IKBKB 3670/4885CHUK 2791/4885CYP1A2 2601/4885
US-20040198742-A1 Substituted 3-(benzoylureido) thiophene derivatives, processes for preparing them and their use SLC5A2, TXNRD2, SLC5A1 IKBKB 1750/4885CHUK 892/4885CYP1A2 26/4885

“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.