SCHEMBL1660244

SCHEMBL1660244

COc1ccc(Br)cc1N=C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
CYP3A4 P08684 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39
AMY1A P0DUB6 1/20 0.38
PYCR1 P32322 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TRPA1 O75762 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2301047 0.86 CYP3A4 (0.69) ALDH1A1CYP3A4TDP1HPGDSMN1; SMN2
SCHEMBL6113969 0.82 APLNR (0.40) ALDH1A1CYP3A4TDP1HPGDSMN1; SMN2
SCHEMBL5891689 0.81 CYP3A4 (0.73) ALDH1A1CYP3A4TDP1HPGDTSHR
SCHEMBL29510769 0.80 CYP3A4 (0.59) ALDH1A1CYP3A4TDP1HPGDSMN1; SMN2
SCHEMBL29538723 0.80 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1HPGDSMN1; SMN2
SCHEMBL374346 0.80 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1HPGDSMN1; SMN2
SCHEMBL1019299 0.80 CYP3A4 (0.56) ALDH1A1CYP3A4TDP1HPGDSMN1; SMN2
SCHEMBL124245 0.80 CYP3A4 (0.59) ALDH1A1CYP3A4TDP1HPGDSMN1; SMN2
SCHEMBL29648847 0.80 CYP3A4 (0.56) ALDH1A1CYP3A4TDP1HPGDSMN1; SMN2
SCHEMBL13249651 0.79 AMY1A (0.44) ALDH1A1TDP1SMN1; SMN2GLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222421-B2 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. (US) 2012-07-17 US disclosed
EP-1858879-B1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT INC (US) 2012-06-06 EP disclosed
EP-1858879-B1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT INC (US) 2012-06-06 EP disclosed
EP-2397478-A1 1,3-diaryl substituted ureas as modulators of kinase activity. CGI Pharmaceuticals, Inc. (US) 2011-12-21 EP disclosed
EP-2397478-A1 1,3-diaryl substituted ureas as modulators of kinase activity. CGI Pharmaceuticals, Inc. (US) 2011-12-21 EP disclosed
CN-102267978-A 1,3-diaryl substituted ureas as modulators of kinase activity 2011-12-07 CN disclosed
WO-2011046991-A2 CERTAIN SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT, INC. (US) 2011-04-21 WO disclosed
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. 2010-11-11 US disclosed
US-7777040-B2 Certain substituted ureas, as modulators of kinase activity CGI PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 EP disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 US disclosed
CN-101228158-A N-amide derivatives of 8-azabicyclo[3.2.1]oct-3-yl as ccr1 antagonists ALMIRALL LAB (ES) 2008-07-23 CN disclosed
CN-101163691-A 1, 3-diaryl substituted ureas as modulators of kinase activity CGI PHARMACEUTICALS INC (US) 2008-04-16 CN disclosed
EP-1891064-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-02-27 EP disclosed
EP-1858879-A1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY CGI Pharmaceuticals, Inc. (US) 2007-11-28 EP disclosed
WO-2007024294-A2 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2007-03-01 WO disclosed
WO-2006133802-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2006-12-21 WO disclosed
US-20060270702-A1 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-11-30 US disclosed
US-20060199846-A1 Certain substituted ureas as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-09-07 US disclosed
WO-2006076593-A1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2006-07-20 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 (4 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-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists CCR1, CCR3, CCR8 ALDH1A1 628/4885CYP3A4 2683/4885TDP1 2521/4885
US-20060199846-A1 Certain substituted ureas as modulators of kinase activity UCK2, CHUK, AXL ALDH1A1 1328/4885CYP3A4 2662/4885TDP1 1976/4885
US-20060270702-A1 Certain substituted ureas, as modulators of kinase activity UCK2, CHUK, TK1 ALDH1A1 1183/4885CYP3A4 2682/4885TDP1 2033/4885
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY UCK2, CHUK, TK1 ALDH1A1 1183/4885CYP3A4 2682/4885TDP1 2033/4885

“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.