SCHEMBL10200249

SCHEMBL10200249

C[C@@H]1CN[C@H](c2nc3cc(C#Cc4ccc5c(ccc6nc([C@@H]7C[C@H](C)CN7)[nH]c65)c4)ccc3[nH]2)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.37
CDC7 O00311 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
ROCK1 Q13464 2/20 0.36
DBF4 Q9UBU7 2/20 0.36

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
SCHEMBL19488489 0.85 CDC7 (0.38) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL19488494 0.80
SCHEMBL10202476 0.80
SCHEMBL19488529 0.79 CDC7 (0.40) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL13087671 0.77 CDC7 (0.33) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL12332959 0.77 SCN10A (0.34) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL19488597 0.76
Hydrochloric Acid SCHEMBL2511260 0.76 CDC7 (0.35) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL10201149 0.75 NPC1 (0.36) SCN10A
SCHEMBL13221481 0.75 NPC1 (0.36) SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 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-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SCN10A 4625/4885CDC7 911/4885CCNE1 2587/4885

“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.