SCHEMBL1576816

SCHEMBL1576816

Brc1cc(Br)c2nccn2c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
NUDT1 P36639 1/20 0.39
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.37
AXL P30530 1/20 0.33
TNKS O95271 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Hydrochloric Acid SCHEMBL1369700 0.98 L3MBTL1 (0.65) L3MBTL1NUDT1HTR2CHTR2AAXL
SCHEMBL2914112 0.82 L3MBTL1 (0.65) L3MBTL1NUDT1HTR2CHTR2ATNKS
SCHEMBL3847774 0.80 L3MBTL1 (0.62) L3MBTL1NUDT1HTR2CHTR2ATNKS
SCHEMBL15007643 0.80 L3MBTL1 (0.62) L3MBTL1NUDT1HTR2CHTR2ATNKS
SCHEMBL1983144 0.80 L3MBTL1 (0.49) L3MBTL1NUDT1HTR2CAXLTNKS
SCHEMBL1348114 0.80 L3MBTL1 (1.00) L3MBTL1NUDT1HTR2CHTR2ATNKS
SCHEMBL1348141 0.80 L3MBTL1 (0.62) L3MBTL1NUDT1HTR2CHTR2ATNKS
SCHEMBL12144260 0.80 L3MBTL1 (0.62) L3MBTL1NUDT1HTR2CHTR2ATNKS
SCHEMBL15747098 0.80 L3MBTL1 (0.49) L3MBTL1NUDT1HTR2CAXLTNKS
SCHEMBL2266179 0.80 L3MBTL1 (0.58) L3MBTL1NUDT1HTR2CAXLTNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307413-B1 NOVEL PHENYL-IMIDAZOPYRIDINES AND PYRIDAZINES HOFFMANN LA ROCHE (CH) 2015-09-09 EP disclosed
EP-2300466-B1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-08-06 EP disclosed
US-8742098-B2 Inhibitors of Bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
US-8742098-B2 Inhibitors of Bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
US-20130150360-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-06-13 US disclosed
US-20130150360-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-06-13 US disclosed
US-8410128-B2 Triazolopyridine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 US disclosed
US-8410128-B2 Triazolopyridine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 US disclosed
US-8338604-B2 Imidazopyridine and imidazopyrazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-25 US disclosed
US-8338604-B2 Imidazopyridine and imidazopyrazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-25 US disclosed
US-20110288085-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 US disclosed
EP-2307413-A1 NOVEL PHENYL-IMIDAZOPYRIDINES AND PYRIDAZINES F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
US-20110077243-A1 Triazolopyridine Compounds Useful As Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
US-20110077243-A1 Triazolopyridine Compounds Useful As Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
WO-2010006947-A1 NOVEL PHENYL-IMIDAZOPYRIDINES AND PYRIDAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed
US-20100016301-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2010-01-21 US disclosed
US-20100016301-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2010-01-21 US disclosed
US-20100016301-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2010-01-21 US disclosed
WO-2009155388-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-23 WO disclosed
WO-2009155389-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-23 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-20130150360-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN L3MBTL1 3259/4885NUDT1 3091/4885HTR2C 4531/4885
US-20100016301-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN L3MBTL1 2631/4885NUDT1 3544/4885HTR2C 2556/4885
US-20110077243-A1 Triazolopyridine Compounds Useful As Kinase Inhibitors MAP3K1, MAP3K5, MAP3K8 L3MBTL1 4234/4885NUDT1 1305/4885HTR2C 988/4885
US-20110288085-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP4K2, MAPKAPK2, MAP3K5 L3MBTL1 4224/4885NUDT1 1499/4885HTR2C 1811/4885

“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.