SCHEMBL1015876

SCHEMBL1015876

Clc1ncnc2sc3c(c12)CCNC3

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.50
KCNH2 Q12809 1/20 0.46
KDR P35968 2/20 0.45
MET P08581 1/20 0.45
DRD2 P14416 1/20 0.43

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
Hydrochloric Acid SCHEMBL17296432 0.98 SIGMAR1 (0.49) SIGMAR1KCNH2KDRMETDRD2
SCHEMBL18750530 0.83 SIGMAR1 (0.54) SIGMAR1KDRMET
SCHEMBL17307860 0.82 LIMK1 (0.63) SIGMAR1KDRMET
SCHEMBL14422090 0.79 SIGMAR1 (0.51) SIGMAR1KCNH2KDRMETDRD2
SCHEMBL735589 0.78 LIMK1 (0.66) KDRDRD2
SCHEMBL11742 0.78 LIMK1 (0.66) DRD2
SCHEMBL938557 0.74 KDR (0.65) KDRMET
SCHEMBL15140475 0.74 LIMK1 (0.42) DRD2
SCHEMBL12908954 0.73 KDR (0.56) KDRMET
SCHEMBL6315989 0.73 LIMK1 (0.69) KDRMETDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107229-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-20 US disclosed
US-20170107229-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-20 US disclosed
WO-2015181063-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-03 WO 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-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-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 (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-20170107229-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES TYMP, DPYD, TYMS SIGMAR1 4768/4885KCNH2 4584/4885KDR 53/4885
US-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof DPYD, TYMP, TPMT SIGMAR1 3990/4885KCNH2 3383/4885KDR 3453/4885

“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.