SCHEMBL2084659

SCHEMBL2084659

Clc1ncnc2sc3c(c12)CCC1(C3)OCCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
LIMK1 P53667 4/20 0.46
GABRP O00591 10/20 0.44
GABRD O14764 10/20 0.44
GABRA1 P14867 10/20 0.44
GABRB1 P18505 10/20 0.44
GABRG2 P18507 10/20 0.44
GABRB3 P28472 10/20 0.44
GABRA5 P31644 10/20 0.44
GABRA3 P34903 10/20 0.44
GABRA2 P47869 10/20 0.44
GABRB2 P47870 10/20 0.44
GABRA4 P48169 10/20 0.44
GABRE P78334 10/20 0.44
GABRA6 Q16445 10/20 0.44
GABRG1 Q8N1C3 10/20 0.44
GABRG3 Q99928 10/20 0.44

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
SCHEMBL15921034 0.84 ALDH1A1 (0.52) LMNAALDH1A1TSHRMAPK1LIMK1
SCHEMBL10227767 0.81 ALDH1A1 (0.59) LMNAALDH1A1TSHRMAPK1LIMK1
SCHEMBL15921481 0.75 LIMK1 (0.51) LMNAALDH1A1LIMK1HTTHSD17B10
SCHEMBL2084756 0.75 EGFR (0.68) MAPK1HTT
SCHEMBL2085627 0.74 HTT (0.58) LMNAALDH1A1TSHRMAPK1GABRP
SCHEMBL15921132 0.73 LIMK1 (0.49) LMNAALDH1A1LIMK1HTTHSD17B10
SCHEMBL15921053 0.73 LIMK1 (0.49) LMNAALDH1A1LIMK1HTTHSD17B10
SCHEMBL6315989 0.73 LIMK1 (0.69) LMNAALDH1A1TSHRMAPK1LIMK1
SCHEMBL15921184 0.73 GABRP (0.41) LMNAALDH1A1TSHRMAPK1LIMK1
SCHEMBL15534077 0.73 LIMK1 (0.45) LMNAALDH1A1LIMK1P2RX3HTT

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159816-A1 SUBSTITUTED THIENOPYRIMIDINES AND PHARMACEUTICAL USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-09 US disclosed
US-20160159816-A1 SUBSTITUTED THIENOPYRIMIDINES AND PHARMACEUTICAL USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-09 US disclosed
EP-2951187-A1 SUBSTITUTED THIENOPYRIMIDINES AND PHARMACEUTICAL USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2015-12-09 EP disclosed
WO-2014118229-A1 SUBSTITUTED THIENOPYRIMIDINES AND PHARMACEUTICAL USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-07 WO disclosed
WO-2014118229-A1 SUBSTITUTED THIENOPYRIMIDINES AND PHARMACEUTICAL USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-07 WO disclosed
EP-1799653-B1 Condensed thienopyrimidine derivatives for the treatment of cancer BAYER IP GMBH (DE) 2013-03-20 EP disclosed
EP-1799653-B1 Condensed thienopyrimidine derivatives for the treatment of cancer BAYER IP GMBH (DE) 2013-03-20 EP disclosed
US-8207172-B2 Pyrimidinothienoindazoles useful for the treatment of hyperproliferative disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-26 US disclosed
US-8207172-B2 Pyrimidinothienoindazoles useful for the treatment of hyperproliferative disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-26 US disclosed
US-8207172-B2 Pyrimidinothienoindazoles useful for the treatment of hyperproliferative disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-26 US disclosed
US-7238701-B2 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2007-07-03 US disclosed
US-7238701-B2 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2007-07-03 US disclosed
US-7238701-B2 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2007-07-03 US disclosed
EP-1799653-A2 NOVEL HETEROCYCLES Bayer Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
US-20060293322-A1 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-12-28 US disclosed
EP-1651652-B1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORP (US) 2006-12-27 EP disclosed
EP-1651652-A1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-05-03 EP disclosed
WO-2006044524-A1 BENZOTHIENO’2,3-D! PYRIMIDINE COMPOUNDS AS INHIBITORS OF TYROSINE KINASE ACTIVITIES OF THE EPIDERMAL GROWTH FACTOR RECEPTORS (EGFRS) FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed
WO-2006023843-A2 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-02 WO disclosed
WO-2005010008-A1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-02-03 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-20160159816-A1 SUBSTITUTED THIENOPYRIMIDINES AND PHARMACEUTICAL USE THEREOF TYMP, DPYD, TYMS LMNA 4202/4885ALDH1A1 507/4885TSHR 3295/4885
US-20060293322-A1 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders MKI67, PCNA, MYC LMNA 3440/4885ALDH1A1 414/4885TSHR 2227/4885

“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.