SCHEMBL9280936

SCHEMBL9280936

c1cc(-c2cnc(C3CCCN3)[nH]2)ccc1-c1cnc(C2CCCN2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
SCN10A Q9Y5Y9 2/20 0.46
HPGDS O60760 3/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNA7 P36544 2/20 0.42
CHRNA4 P43681 2/20 0.42
SCN3A Q9NY46 2/20 0.42
SCN9A Q15858 1/20 0.42
SSTR3 P32745 2/20 0.41
KCNH2 Q12809 2/20 0.41
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MEN1 O00255 2/20 0.38
CYP2D6 P10635 2/20 0.38

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
SCHEMBL9284198 1.00 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL12160056 0.98 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL12160014 0.98 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL2775603 0.98 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL12160094 0.98 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL18475635 0.98 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL689813 0.98 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14SCN10A
Hydrochloric Acid SCHEMBL21531494 0.97 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14SCN10A
Hydrochloric Acid SCHEMBL22613427 0.97 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14SCN10A
Hydrochloric Acid SCHEMBL19689541 0.97 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14SCN10A

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-20120136027-A1 Phenyl Ethynyl Derivatives As Hepatitis C Virus Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2012-05-31 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-20120136027-A1 Phenyl Ethynyl Derivatives As Hepatitis C Virus Inhibitors HAVCR2, ZC3HAV1, EIF2AK2 MAPK13 1655/4885MAPK12 2605/4885MAPK11 2600/4885

“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.