SCHEMBL17307669

SCHEMBL17307669

CS(=O)(=O)N1CCc2c(sc3ncnc(Cl)c23)C1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 17/20 0.48
P2RX3 P56373 2/20 0.48
LIMK1 P53667 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
SCHEMBL18762028 0.80 MKNK1 (0.63) MKNK1LIMK1
SCHEMBL940518 0.76 MKNK1 (0.48) MKNK1LIMK1
SCHEMBL17296473 0.76 MKNK1 (0.48) MKNK1LIMK1
SCHEMBL17307632 0.75 EGFR (0.48) MKNK1P2RX3
SCHEMBL17296440 0.75 P2RX3 (0.49) MKNK1P2RX3LIMK1
SCHEMBL17307739 0.73 P2RX3 (0.47) MKNK1P2RX3LIMK1
SCHEMBL967213 0.73 RXFP1 (0.66) MKNK1
SCHEMBL12908869 0.73 MKNK1 (0.48) MKNK1LIMK1
SCHEMBL17307692 0.72 P2RX3 (0.48) MKNK1P2RX3LIMK1
SCHEMBL937868 0.72 MKNK1 (0.70) MKNK1P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107229-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-20 US claimed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MKNK1 2433/4885P2RX3 1911/4885LIMK1 3945/4885

“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.