SCHEMBL12978221

SCHEMBL12978221

C#CCN(C(=O)c1ccc(Sc2nc(C)cc(C)n2)nc1)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
VNN1 O95497 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CXCR2 P25025 1/20 0.33
NAMPT P43490 5/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TYMS P04818 1/20 0.32
NOTUM Q6P988 1/20 0.31
PDK1 Q15118 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL12978223 0.90 HTT (0.38) HTTGAATSHRCYP3A4CYP2C9
SCHEMBL12978169 0.88 HTT (0.52) HTTGAATSHRCYP3A4CYP2C9
SCHEMBL12978218 0.85 HTT (0.39) HTTGAATSHRCYP3A4CYP2C9
SCHEMBL12978226 0.85 GAA (0.55) HTTGAATSHRCXCR2KDM4E
SCHEMBL13095785 0.84 HTT (0.48) HTTGAATSHRCYP3A4CYP2C9
SCHEMBL789923 0.83 TRPV1 (0.46) HTTCYP3A4CYP2C9CYP2C19TRPV1
SCHEMBL12978227 0.82 PDK1 (0.46) HTTGAATSHRCXCR2PDK1
SCHEMBL12978228 0.80 ALDH1A1 (0.43) GAATSHRCYP3A4CYP2C9CYP2C19
SCHEMBL791893 0.80 HTT (0.51) HTTGAATSHRCYP3A4CYP2C9
SCHEMBL791948 0.79 HTT (0.42) HTTTSHRCYP3A4CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 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 (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-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III CHRM1, CHRM2, GRIN2C HTT 1901/4885GAA 4836/4885TSHR 1290/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR HTT 2101/4885GAA 2373/4885TSHR 2740/4885

“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.