SCHEMBL17816394

SCHEMBL17816394

CN(C)C1CCc2c(sc3ncnc(Cl)c23)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.50
IRAK4 Q9NWZ3 1/20 0.47
TSHR P16473 2/20 0.44
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
CSNK2A2 P19784 3/20 0.41
CSNK2B P67870 3/20 0.41
CSNK2A1 P68400 3/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MKNK1 Q9BUB5 4/20 0.40
MEN1 O00255 2/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL17797480 1.00 LIMK1 (0.50) LIMK1IRAK4TSHRCCNA2CDK2
SCHEMBL15933927 0.84 LIMK1 (0.50) LIMK1IRAK4TSHRCSNK2A2CSNK2B
SCHEMBL15923690 0.84 LIMK1 (0.50) LIMK1IRAK4TSHRCSNK2A2CSNK2B
SCHEMBL15923688 0.84 LIMK1 (0.50) LIMK1IRAK4TSHRCSNK2A2CSNK2B
SCHEMBL14459722 0.83 LIMK1 (0.70) LIMK1TSHRCCNA2CDK2CCNA1
SCHEMBL17850662 0.83 LIMK1 (0.70) LIMK1TSHRCCNA2CDK2CCNA1
SCHEMBL16741730 0.80 MKNK1 (0.62) LIMK1MKNK1
SCHEMBL15534282 0.79 MKNK1 (0.56) LIMK1LMNAALDH1A1MKNK1
SCHEMBL16384777 0.79 MKNK1 (0.56) LIMK1LMNAALDH1A1MKNK1
SCHEMBL16372092 0.79 MKNK1 (0.56) LIMK1LMNAALDH1A1MKNK1

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 1 patent. 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

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-20160159816-A1 SUBSTITUTED THIENOPYRIMIDINES AND PHARMACEUTICAL USE THEREOF TYMP, DPYD, TYMS LIMK1 3605/4885IRAK4 3975/4885TSHR 3295/4885

“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.