SCHEMBL938557

SCHEMBL938557

Clc1ccc(Nc2ncnc3sc4c(c23)CCNC4)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.65
EGFR P00533 4/20 0.60
MET P08581 1/20 0.59
FGFR1 P11362 2/20 0.59
TNNI3K Q59H18 3/20 0.55
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
CCNA1 P78396 1/20 0.55
MKNK1 Q9BUB5 7/20 0.55
RAF1 P04049 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
MAP2K1 Q02750 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MKNK2 Q9HBH9 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
SCHEMBL937433 0.94 EGFR (0.63) KDREGFRMETFGFR1CCNA2
SCHEMBL938132 0.91 EGFR (0.60) KDREGFRMETFGFR1CCNA2
SCHEMBL938202 0.91 EGFR (0.74) KDREGFRMETFGFR1TNNI3K
SCHEMBL937510 0.90 EGFR (0.57) KDREGFRMETFGFR1CCNA2
SCHEMBL939383 0.85 EGFR (0.78) KDREGFRMETFGFR1CCNA2
SCHEMBL12908963 0.84 KDR (0.57) KDREGFRMETFGFR1TNNI3K
Hydrochloric Acid SCHEMBL938228 0.83 KDR (0.56) KDREGFRMETFGFR1TNNI3K
SCHEMBL938649 0.83 EGFR (0.79) KDREGFRFGFR1CCNA2CDK2
SCHEMBL12944795 0.82 MAPT (0.62) KDREGFRMETFGFR1TNNI3K
SCHEMBL12908964 0.82 KDR (0.57) KDREGFRMETFGFR1TNNI3K

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
US-8524722-B2 Substituted tricyclic compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 US disclosed
US-8524722-B2 Substituted tricyclic compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 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
US-8501755-B2 Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-06 US disclosed
EP-2212332-B1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2012-10-24 EP disclosed
EP-2212332-B1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2012-10-24 EP disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 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
US-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof BAYER HEALTHCARE AG (DE) 2010-11-25 US disclosed
WO-2009033581-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 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 (2 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 KDR 3453/4885EGFR 2580/4885MET 3976/4885
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, CYP11B1, CYP11A1 KDR 4233/4885EGFR 1771/4885MET 3181/4885

“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.