SCHEMBL1016610

SCHEMBL1016610

Clc1cc(Nc2ncnc3sc4c(c23)CCNC4)ccc1OCc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.58
ERBB2 P04626 15/20 0.56
ERBB3 P21860 1/20 0.55
ERBB4 Q15303 1/20 0.55
KDR P35968 2/20 0.51
KCNH2 Q12809 2/20 0.50
MET P08581 1/20 0.49
LCK P06239 1/20 0.49

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
SCHEMBL937731 0.93 EGFR (0.60) EGFRERBB2ERBB3ERBB4KCNH2
SCHEMBL13074301 0.90 EGFR (0.54) EGFRERBB2KDRMET
SCHEMBL10227851 0.85 EGFR (0.60) EGFRERBB2ERBB3ERBB4KCNH2
Hydrochloric Acid SCHEMBL2195262 0.85 EGFR (0.59) EGFRERBB2ERBB3ERBB4KCNH2
SCHEMBL938318 0.83 STK3 (0.52) EGFRERBB2ERBB3ERBB4KDR
SCHEMBL12945014 0.82 EGFR (0.56) EGFRERBB2ERBB3ERBB4KDR
SCHEMBL10227854 0.82 EGFR (0.55) EGFRERBB2ERBB3ERBB4KCNH2
Hydrochloric Acid SCHEMBL2196386 0.81 EGFR (0.54) EGFRERBB2ERBB3ERBB4KCNH2
SCHEMBL5629648 0.81 EGFR (0.56) EGFRERBB2ERBB3ERBB4KCNH2
SCHEMBL938557 0.81 KDR (0.65) EGFRKDRMET

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501755-B2 Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-06 US disclosed
US-8501755-B2 Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-06 US disclosed
US-8501755-B2 Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-06 US disclosed
EP-2001890-B1 TETRAHYDROPYRIDOTHIENOPYRIMIDINE COMPOUNDS AND USE FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS BAYER SCHERING PHARMA AG (DE) 2011-01-12 EP disclosed
EP-2001890-B1 TETRAHYDROPYRIDOTHIENOPYRIMIDINE COMPOUNDS AND USE FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS BAYER SCHERING PHARMA AG (DE) 2011-01-12 EP disclosed
US-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof BAYER HEALTHCARE AG (DE) 2010-11-25 US disclosed
US-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof BAYER HEALTHCARE AG (DE) 2010-11-25 US disclosed
WO-2007109279-A2 TETRAHYDROPYRIDOTHIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF BAYER HEALTHCARE AG (DE) 2007-09-27 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 (1 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-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof DPYD, TYMP, TPMT EGFR 2580/4885ERBB2 1267/4885ERBB3 1624/4885

“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.