SCHEMBL1795334

SCHEMBL1795334

CCOC(=O)c1nc(C)cc(Br)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM5B Q9UGL1 1/20 0.43
RAB9A P51151 3/20 0.43
CYP1A2 P05177 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
GLP1R P43220 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL4908919 0.79 TARBP2 (0.48) TARBP2ALDH1A1RAB9ACYP1A2KMT2A
SCHEMBL28331587 0.78 POLB (0.57) ALDH1A1RAB9AKDM4EPOLBL3MBTL1
SCHEMBL3087343 0.78 KDM4E (0.51) ALDH1A1KDM5BKMT2AMEN1KDM4E
SCHEMBL1795934 0.76 SMN1; SMN2 (0.41) ALDH1A1RAB9AKMT2AMEN1KDM4E
SCHEMBL30662586 0.75 BRD4 (0.49) TARBP2KDM5BRAB9ACYP1A2KDM4E
SCHEMBL1761130 0.75 ALDH1A1 (0.44) TARBP2ALDH1A1KDM5BCYP1A2KMT2A
SCHEMBL1425164 0.72 ALDH1A1 (0.54) TARBP2ALDH1A1RAB9ACYP1A2KMT2A
SCHEMBL19715739 0.72 TARBP2 (0.48) TARBP2ALDH1A1RAB9ACYP1A2KMT2A
SCHEMBL15265840 0.72 CA12 (0.53) RAB9ACYP1A2KMT2AMEN1THRB
SCHEMBL18773577 0.72 CA12 (0.62) RAB9ACYP1A2KMT2AMEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552918-B1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS HOFFMANN LA ROCHE (CH) 2014-06-11 EP disclosed
US-8410117-B2 Imidazopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
EP-2552918-A1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-02-06 EP disclosed
US-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2011-09-29 US disclosed
WO-2011117264-A1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
US-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 US disclosed
WO-2010100050-A1 PYRIDINE-2-YL-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-09 US disclosed
EP-1987003-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US 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-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES GRM2, GRM1, GRM3 TARBP2 2887/4885ALDH1A1 852/4885KDM5B 883/4885
US-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES PDE5A, PDE3B, PDE3A TARBP2 3497/4885ALDH1A1 105/4885KDM5B 1075/4885
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives GRM2, GRM1, GRM3 TARBP2 3182/4885ALDH1A1 1349/4885KDM5B 646/4885

“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.