SCHEMBL15534294

SCHEMBL15534294

O=C(O)C1CCc2c(sc3ncnc(O)c23)C1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 5/20 0.60
CSNK2A2 P19784 3/20 0.49
CSNK2B P67870 3/20 0.49
CSNK2A1 P68400 3/20 0.49
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
P2RX3 P56373 1/20 0.43
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
MKNK1 Q9BUB5 4/20 0.41
TP53 P04637 1/20 0.40
PDK1 Q15118 1/20 0.40

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
SCHEMBL18135597 0.86 LIMK1 (0.61) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL20399080 0.86 LIMK1 (0.81) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL15534269 0.86 LIMK1 (0.59) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL16741326 0.86 LIMK1 (0.59) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL16370982 0.86 LIMK1 (0.59) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL16385041 0.86 LIMK1 (0.59) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL16384778 0.82 LIMK1 (0.78) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL15933915 0.81 LIMK1 (0.70) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL15533548 0.81 LIMK1 (0.70) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL15423033 0.78 LIMK1 (0.50) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197979-A1 BENZOTHIADIAZOLAMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
EP-3149003-A1 BENZOTHIADIAZOLAMINES Bayer Pharma Aktiengesellschaft (DE) 2017-04-05 EP disclosed
US-20160297833-A1 THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS Bayer Pharma AG (DE) 2016-10-13 US disclosed
EP-3071577-A1 THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-09-28 EP disclosed
EP-2852595-B1 SUBSTITUTED BENZOTHIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 EP disclosed
US-20160159789-A1 SUBSTITUTED PYRAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-09 US disclosed
EP-3019505-A1 SUBSTITUTED PYRAZOLO-PYRIDINAMINES Bayer Pharma Aktiengesellschaft (DE) 2016-05-18 EP disclosed
US-9296757-B2 Substituted benzothienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-29 US disclosed
WO-2015181104-A1 BENZOTHIADIAZOLAMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-03 WO disclosed
US-20150152121-A1 Substituted Benzothienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-04 US disclosed
WO-2015074986-A1 THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 WO disclosed
EP-2852595-A1 SUBSTITUTED BENZOTHIENOPYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2015-04-01 EP disclosed
WO-2015004024-A1 SUBSTITUTED PYRAZOLO-PYRIDINAMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-15 WO disclosed
WO-2013174735-A1 SUBSTITUTED BENZOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 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 (4 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 3417/4885CSNK2A2 1483/4885CSNK2B 1848/4885
US-20150152121-A1 Substituted Benzothienopyrimidines CCNA1, CCNT2, TYMP LIMK1 4038/4885CSNK2A2 2608/4885CSNK2B 1956/4885
US-20160297833-A1 THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS MKNK1, MKNK2, DTYMK LIMK1 504/4885CSNK2A2 403/4885CSNK2B 436/4885
US-20160159789-A1 SUBSTITUTED PYRAZOLOPYRIDINES DPYD, PGF, VEGFA LIMK1 2545/4885CSNK2A2 2680/4885CSNK2B 2724/4885

“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.