SCHEMBL854828

SCHEMBL854828

CN1CCN(c2ccc(N)cc2)CC1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
ALDH1A1 P00352 7/20 0.55
GFER P55789 6/20 0.55
GAA P10253 6/20 0.55
KDM4E B2RXH2 4/20 0.55
KMT2A Q03164 2/20 0.55
PTK2B Q14289 2/20 0.55
ADRA2C P18825 2/20 0.55
ESR2 Q92731 1/20 0.55
LMNA P02545 6/20 0.50
HTT P42858 3/20 0.50
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
RAD52 P43351 1/20 0.46
CASP6 P55212 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
RECQL P46063 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL17068933 0.82 ADRA2C (0.58) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL188069 0.81 ADRA2C (0.56) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL1814699 0.81 ADRA2C (0.56) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL188214 0.81 ADRA2C (0.56) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL188807 0.80 MAPT (0.51) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL188751 0.80 MAPT (0.51) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL4159588 0.79 MAPT (0.55) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL20180649 0.77 MAPT (0.51) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL16206953 0.77 MAPT (0.51) MAPTALDH1A1GFERGAAKDM4E
SCHEMBL16195952 0.76 MAPT (0.50) MAPTALDH1A1GFERGAAKDM4E

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 21 patents — showing the first 20. 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-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-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-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 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
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
EP-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 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
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
EP-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 EP disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP 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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B MAPT 4119/4885ALDH1A1 2864/4885GFER 1655/4885
US-20160046586-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS BTK, SYK, LYN MAPT 2865/4885ALDH1A1 4390/4885GFER 1321/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B MAPT 4119/4885ALDH1A1 2864/4885GFER 1655/4885
US-20130059847-A1 SUBSTITUTED N-(3-(PYRIMIDIN-4-YL)PHENYL)ACRYLAMIDE ANALOGS AS TYROSINE RECEPTOR KINASE BTK INHIBITORS BTK, SYK, LYN MAPT 2865/4885ALDH1A1 4390/4885GFER 1321/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B MAPT 4119/4885ALDH1A1 2864/4885GFER 1655/4885

“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.