SCHEMBL5629554

SCHEMBL5629554

CCOC(=O)C1CCc2c(sc3ncnc(Cl)c23)C1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 5/20 0.77
MKNK1 Q9BUB5 2/20 0.56
P2RX3 P56373 1/20 0.49
MAPT P10636 2/20 0.47
PDK1 Q15118 1/20 0.47
TP53 P04637 1/20 0.46
CSNK2A2 P19784 3/20 0.45
CSNK2B P67870 3/20 0.45
CSNK2A1 P68400 3/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PTGS2 P35354 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL16384793 1.00 LIMK1 (0.77) LIMK1MKNK1P2RX3MAPTPDK1
SCHEMBL16751134 1.00 LIMK1 (0.77) LIMK1MKNK1P2RX3MAPTPDK1
SCHEMBL15933742 1.00 LIMK1 (0.77) LIMK1MKNK1P2RX3MAPTPDK1
SCHEMBL15241911 0.91 LIMK1 (0.64) LIMK1MKNK1P2RX3MAPTPDK1
SCHEMBL20259366 0.89 LIMK1 (0.60) LIMK1MKNK1MAPTCSNK2A2CSNK2B
SCHEMBL16384778 0.88 LIMK1 (0.78) LIMK1MKNK1P2RX3MAPTPDK1
SCHEMBL29400963 0.87 LIMK1 (1.00) LIMK1MKNK1P2RX3MAPTPDK1
SCHEMBL20419781 0.87 LIMK1 (1.00) LIMK1MKNK1P2RX3MAPTPDK1
SCHEMBL14459798 0.83 LIMK1 (0.54) LIMK1MKNK1MAPTTP53CSNK2A2
SCHEMBL16371779 0.83 LIMK1 (0.59) LIMK1MKNK1MAPTCSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197979-A1 BENZOTHIADIAZOLAMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20170197979-A1 BENZOTHIADIAZOLAMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
WO-2017081003-A1 SUBSTITUTED PYRAZOLOPYRIDINAMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-18 WO disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
US-20160297833-A1 THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS Bayer Pharma AG (DE) 2016-10-13 US disclosed
EP-2852596-B1 THIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 EP disclosed
EP-2852595-B1 SUBSTITUTED BENZOTHIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 EP disclosed
EP-2852596-B1 THIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 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
WO-2013174744-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 WO 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
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-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 (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-20170197979-A1 BENZOTHIADIAZOLAMINES HIF1AN, PGF, EGLN2 LIMK1 3417/4885MKNK1 3767/4885P2RX3 1732/4885
US-20160297833-A1 THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS MKNK1, MKNK2, DTYMK LIMK1 504/4885MKNK1 1/4885P2RX3 2325/4885
US-20060293322-A1 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders MKI67, PCNA, MYC LIMK1 2678/4885MKNK1 1477/4885P2RX3 4553/4885

“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.