SCHEMBL14915582

SCHEMBL14915582

CN1CCN(c2ccc(Nc3nc(Sc4cccc(N)c4)c4sccc4n3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
PLK4 O00444 1/20 0.49
EGFR P00533 5/20 0.48
ABCB11 O95342 1/20 0.48
ESR1 P03372 1/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
TBXA2R P21731 1/20 0.48
SLC6A2 P23975 1/20 0.48
PDE4A P27815 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
KDR P35968 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL14914404 0.82 EGFR (0.70) EGFRABCB11ESR1CHRM2HTR1A
SCHEMBL12074578 0.81 EGFR (0.56) PTK2IRAK4EGFRABCB11ESR1
SCHEMBL14924118 0.80 EGFR (0.70) PTK2IRAK4EGFRABCB11ESR1
Hydrochloric Acid SCHEMBL21518191 0.79 EGFR (0.69) PTK2IRAK4EGFRABCB11ESR1
SCHEMBL14916089 0.79 EGFR (0.55) PTK2IRAK4EGFRABCB11ESR1
SCHEMBL14916091 0.79 EGFR (0.55) PTK2IRAK4EGFRABCB11ESR1
SCHEMBL17893515 0.75 IRAK4 (0.62) PTK2IRAK4EGFRABCB11ESR1
Trifluoroacetic Acid SCHEMBL21518195 0.73 EGFR (0.67) PTK2IRAK4EGFRABCB11ESR1
SCHEMBL22807398 0.73 IRAK4 (0.60) PTK2IRAK4EGFRABCB11ESR1
SCHEMBL18403677 0.73 EGFR (0.32) IRAK4EGFRABCB11ESR1CHRM2

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 23 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 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
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-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 US 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
EP-2975042-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-01-20 EP disclosed
US-8957065-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD (KR) 2015-02-17 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-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 PTK2 216/4885IRAK4 166/4885PLK4 583/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 PTK2 220/4885IRAK4 146/4885PLK4 588/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 PTK2 220/4885IRAK4 146/4885PLK4 588/4885

“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.