SCHEMBL1744086

SCHEMBL1744086

[CH2]NC(=O)c1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
KDM4E B2RXH2 2/20 0.61
MPO P05164 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2A6 P11509 1/20 0.61
CYP2C19 P33261 1/20 0.61
GAA P10253 3/20 0.59
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
HTT P42858 1/20 0.53
NAPRT Q6XQN6 1/20 0.52
CA1 P00915 3/20 0.52
CA9 Q16790 3/20 0.52
TSHR P16473 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52

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
SCHEMBL2992964 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL2004792 0.80 ALDH1A1 (0.73) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL2998145 0.78 HDAC6 (0.76) ALDH1A1KDM4EMPOCYP1A2CYP3A4
Isoniazid SCHEMBL2390873 0.76 KDM4E (1.00) ALDH1A1KDM4EMPOCYP1A2CYP3A4
Isoniazid SCHEMBL16642160 0.76 KDM4E (1.00) ALDH1A1KDM4EMPOCYP1A2CYP3A4
Isoniazid SCHEMBL228 0.76 KDM4E (1.00) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL8150076 0.76 ALDH1A1 (0.67) ALDH1A1KDM4EMPOCYP1A2CYP3A4
Isoniazid SCHEMBL12264081 0.76 KDM4E (1.00) ALDH1A1KDM4EMPOCYP1A2CYP3A4
Isoniazid SCHEMBL16642161 0.76 KDM4E (1.00) ALDH1A1KDM4EMPOCYP1A2CYP3A4
Isoniazid SCHEMBL12264083 0.76 KDM4E (1.00) ALDH1A1KDM4EMPOCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057115-B9 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-12-26 EP claimed
EP-2057115-B1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-10-03 EP claimed
CN-101155800-B Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB 2012-05-23 CN claimed
US-8183289-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2012-05-22 US claimed
US-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-08 US claimed
EP-2057115-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2009-05-13 EP claimed
US-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases ASTRAZENECA AB (SE) 2008-06-12 US claimed
CN-101155800-A Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2008-04-02 CN claimed
WO-2008024746-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA, INC. (US) 2008-02-28 WO claimed
EP-1846394-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AstraZeneca AB (SE) 2007-10-24 EP claimed
WO-2006082392-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-08-10 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
US-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
US-8835465-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2014-09-16 US disclosed
US-8772285-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2014-07-08 US disclosed
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 US disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
EP-1301481-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP disclosed
US-20020032221-A1 Pyrrole derivatives ROCHE PRODUCTS LIMITED (GB) 2002-03-14 US disclosed
WO-2002002524-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 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 (3 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-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases CNKSR1, LTK, MUSK ALDH1A1 2891/4885KDM4E 2477/4885MPO 3755/4885
US-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 ALDH1A1 610/4885KDM4E 1078/4885MPO 4140/4885
US-20020032221-A1 Pyrrole derivatives PYCR1, SARS1, MAVS ALDH1A1 2902/4885KDM4E 897/4885MPO 1926/4885

“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.