SCHEMBL14914456

SCHEMBL14914456

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCC(N(C)C)CC4)nc3)nc3ccsc23)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.69
EGFR P00533 7/20 0.69
KCNH2 Q12809 2/20 0.69
ABCB11 O95342 1/20 0.69
ESR1 P03372 1/20 0.69
CHRM2 P08172 1/20 0.69
HTR1A P08908 1/20 0.69
ADRA2A P08913 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
CHRM1 P11229 1/20 0.69
DRD1 P21728 1/20 0.69
TBXA2R P21731 1/20 0.69
SLC6A2 P23975 1/20 0.69
PDE4A P27815 1/20 0.69
ADRA1A P35348 1/20 0.69
OPRM1 P35372 1/20 0.69
DRD3 P35462 1/20 0.69
KDR P35968 1/20 0.69
SLC6A3 Q01959 1/20 0.69
HRH3 Q9Y5N1 1/20 0.69

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
SCHEMBL14914544 0.92 EGFR (0.82) BTKEGFRKCNH2ABCB11ESR1
SCHEMBL14915049 0.91 EGFR (0.83) BTKEGFRKCNH2ABCB11ESR1
SCHEMBL14914359 0.90 EGFR (0.70) BTKEGFRKCNH2ABCB11ESR1
SCHEMBL14913831 0.89 BTK (0.78) BTKEGFRKCNH2ABCB11ESR1
SCHEMBL9995340 0.89 BTK (0.78) BTKEGFRKCNH2ABCB11ESR1
SCHEMBL14915079 0.89 EGFR (0.69) BTKEGFRKCNH2ABCB11ESR1
SCHEMBL14914445 0.88 EGFR (0.74) BTKEGFRKCNH2ABCB11ESR1
SCHEMBL14917508 0.88 JAK3 (0.75) BTKEGFRKCNH2ABCB11ESR1
SCHEMBL14915356 0.87 EGFR (0.73) BTKEGFRKCNH2ABCB11ESR1
SCHEMBL17996127 0.87 EGFR (0.72) BTKEGFRKCNH2ABCB11ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975042-B1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO LTD (KR) 2018-10-03 EP claimed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US claimed
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 US claimed
EP-2975042-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-01-20 EP claimed
US-8957065-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD (KR) 2015-02-17 US claimed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 US claimed
EP-2975042-B1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO LTD (KR) 2018-10-03 EP disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
EP-2585470-B1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO LTD (KR) 2017-01-25 EP disclosed
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 US disclosed
US-9345719-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2016-05-24 US disclosed
US-8957065-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD (KR) 2015-02-17 US disclosed
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2015-02-12 US disclosed
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2015-02-12 US disclosed
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2015-02-12 US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 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-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN BTK 18/4885EGFR 642/4885KCNH2 4108/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 BTK 7/4885EGFR 608/4885KCNH2 4080/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 BTK 7/4885EGFR 608/4885KCNH2 4080/4885

“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.