SCHEMBL1440700

SCHEMBL1440700

CC(C)(C)OC(=O)Nc1ccc(F)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
IDO1 P14902 1/20 0.44
SYK P43405 1/20 0.43
CYP17A1 P05093 2/20 0.43
AAK1 Q2M2I8 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.41
PSMB8 P28062 1/20 0.41
NAMPT P43490 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAP4K4 O95819 1/20 0.41
RORC P51449 2/20 0.40

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
SCHEMBL29428015 0.88 CA12 (0.47) CA12CA1CA9IDO1SYK
SCHEMBL1137026 0.88 CA12 (0.47) CA12CA1CA9IDO1SYK
SCHEMBL30681937 0.86 HPGD (0.51) CA12CA1CA9SYKCYP17A1
SCHEMBL941486 0.86 HPGD (0.51) CA12CA1CA9SYKCYP17A1
SCHEMBL6096909 0.83 CA1 (0.48) CA12CA1CA9CYP17A1HDAC3
SCHEMBL2349732 0.83 CA12 (0.54) CA12CA1CA9CYP17A1HDAC3
SCHEMBL6816071 0.83 CA12 (0.48) CA12CA1CA9SYKCYP17A1
SCHEMBL4612314 0.83 CA12 (0.48) CA12CA1CA9CYP17A1HDAC3
SCHEMBL31214788 0.83 CA12 (0.54) CA12CA1CA9CYP17A1HDAC3
SCHEMBL29537539 0.83 CA12 (0.48) CA12CA1CA9SYKCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 US disclosed
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2016-03-03 US disclosed
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
EP-2970264-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-9073922-B2 Pyrrolo[2,3-B]pyridine CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-07-07 US disclosed
WO-2014151444-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-25 WO disclosed
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. 2014-09-18 US disclosed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 WO disclosed
EP-2473502-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2012-07-11 EP disclosed
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors PFISTER KEITH B (US) 2012-06-21 US disclosed
WO-2012066065-A1 PHENYL-HETEROARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-05-24 WO disclosed
WO-2011026917-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-10 WO disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 US disclosed
CN-100471842-C Carbostyril derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-03-25 CN disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 US disclosed
CN-1826321-A Quinolone derivative or its salt YAMANOUCHI PHARMA CO LTD (JP) 2006-08-30 CN 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 (5 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-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CA12 4470/4885CA1 4010/4885CA9 665/4885
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CA12 4187/4885CA1 3644/4885CA9 416/4885
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors CDK2, CDK1, CDK6 CA12 4547/4885CA1 4429/4885CA9 3347/4885
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB CA12 4246/4885CA1 2756/4885CA9 2173/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN CA12 1414/4885CA1 1874/4885CA9 539/4885

“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.