SCHEMBL14916091

SCHEMBL14916091

CN(C)CC=CC(=O)Nc1cccc(Sc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.55
BTK Q06187 3/20 0.55
ABCB11 O95342 1/20 0.55
ESR1 P03372 1/20 0.55
CHRM2 P08172 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CHRM1 P11229 1/20 0.55
DRD1 P21728 1/20 0.55
TBXA2R P21731 1/20 0.55
SLC6A2 P23975 1/20 0.55
PDE4A P27815 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRM1 P35372 1/20 0.55
DRD3 P35462 1/20 0.55
KDR P35968 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KCNH2 Q12809 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55

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
SCHEMBL14916089 1.00 EGFR (0.55) EGFRBTKABCB11ESR1CHRM2
SCHEMBL14914404 0.88 EGFR (0.70) EGFRBTKABCB11ESR1CHRM2
SCHEMBL14914365 0.85 EGFR (0.77) EGFRBTKABCB11ESR1CHRM2
SCHEMBL14914367 0.85 EGFR (0.77) EGFRBTKABCB11ESR1CHRM2
SCHEMBL12074578 0.84 EGFR (0.56) EGFRBTKABCB11ESR1CHRM2
SCHEMBL14915582 0.79 PTK2 (0.50) EGFRBTKABCB11ESR1CHRM2
SCHEMBL10127853 0.75 EGFR (0.81) EGFRBTKABCB11ESR1CHRM2
SCHEMBL16823125 0.74 EGFR (0.54) EGFRBTKKDRKCNH2SRC
SCHEMBL16513787 0.74 EGFR (0.54) EGFRBTKKDRKCNH2SRC
SCHEMBL9995397 0.74 EGFR (0.75) EGFRBTKABCB11ESR1CHRM2

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 16 patents. 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
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
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-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
CN-102947316-A Novel fused pyrimidine derivatives for inhibiting tyrosine kinase activity HANMI HOLDINGS CO LTD 2013-02-27 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 (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 EGFR 642/4885BTK 18/4885ABCB11 4852/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 EGFR 608/4885BTK 7/4885ABCB11 4856/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 EGFR 608/4885BTK 7/4885ABCB11 4856/4885

“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.