SCHEMBL3768304

SCHEMBL3768304

Clc1ncc(Nc2ccccc2)c(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.50
PIN1 Q13526 3/20 0.49
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
BCL6 P41182 1/20 0.47
BTK Q06187 1/20 0.46
JAK2 O60674 1/20 0.45
LRRK2 Q5S007 1/20 0.45
CDK2 P24941 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 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
SCHEMBL13949307 0.84 JAK2 (0.47) EGFRMEN1MAPTKMT2ANFKB1
SCHEMBL24978034 0.82 EGFR (0.48) EGFRPIN1MEN1MAPTKMT2A
SCHEMBL12813189 0.80 BTK (0.54) EGFRMEN1MAPTKMT2AMAPK1
SCHEMBL23330861 0.80 PIN1 (0.51) EGFRPIN1MEN1MAPTKMT2A
SCHEMBL4818947 0.78 EGFR (0.44) EGFRPIN1MEN1MAPTKMT2A
SCHEMBL1491787 0.78 BCL6 (0.70) EGFRPIN1MEN1MAPTKMT2A
SCHEMBL18765724 0.74 SMARCA2 (0.42) EGFRJAK2CDK2
SCHEMBL29058920 0.72 POLB (0.50) MEN1MAPTKMT2AMAPK1LMNA
SCHEMBL30500725 0.72 POLB (0.50) MEN1MAPTKMT2AMAPK1LMNA
SCHEMBL4119766 0.71 AURKA (0.68) EGFRPIN1BCL6BTKJAK2

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
EP-2694486-B1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIV UTAH RES FOUND (US) 2018-01-10 EP disclosed
US-20160046586-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIV UTAH RES FOUND (US) 2016-02-18 US disclosed
US-20160046586-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIV UTAH RES FOUND (US) 2016-02-18 US disclosed
US-9206176-B2 Substituted N-(3-(pyrimidin-4-yl)phenyl)acrylamide analogs as tyrosine receptor kinase BTK inhibitors UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-12-08 US disclosed
US-9206176-B2 Substituted N-(3-(pyrimidin-4-yl)phenyl)acrylamide analogs as tyrosine receptor kinase BTK inhibitors UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-12-08 US disclosed
US-8703767-B2 Substituted N-(3-(pyrimidin-4-yl)phenyl)acrylamide analogs as tyrosine receptor kinase BTK inhibitors UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2014-04-22 US disclosed
EP-2694486-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS University of Utah Research Foundation (US) 2014-02-12 EP disclosed
US-20130059847-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIVERSITY OF UTAH 2013-03-07 US disclosed
US-20130059847-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIVERSITY OF UTAH 2013-03-07 US disclosed
WO-2012135801-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-10-04 WO disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-20040167121-A1 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
WO-2004037814-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-06 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-20160046586-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS BTK, SYK, LYN EGFR 323/4885PIN1 1369/4885MEN1 4577/4885
US-20040167121-A1 Indazolinone compositions useful as kinase inhibitors LCK, CDK2, CILK1 EGFR 1461/4885PIN1 831/4885MEN1 1408/4885
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 EGFR 1410/4885PIN1 856/4885MEN1 1366/4885
US-20130059847-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS BTK, SYK, LYN EGFR 323/4885PIN1 1369/4885MEN1 4577/4885

“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.