SCHEMBL10201776

SCHEMBL10201776

C(#Cc1ccc2nc([C@@H]3CCCN3)[nH]c2c1)c1ccc2c(ccc3nc([C@@H]4CCCN4)[nH]c32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.53
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PARP1 P09874 5/20 0.36
NPY5R Q15761 1/20 0.35
CDC7 O00311 8/20 0.34
CCNE1 P24864 4/20 0.34
CDK2 P24941 4/20 0.34
ROCK1 Q13464 4/20 0.34
DBF4 Q9UBU7 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
PIM1 P11309 4/20 0.33
CSNK2B P67870 4/20 0.33
CSNK2A1 P68400 4/20 0.33
DYRK1A Q13627 2/20 0.33
CIT O14578 1/20 0.33
CYP1A2 P05177 1/20 0.33
CSNK2A2 P19784 1/20 0.33

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
SCHEMBL19488500 0.92 SCN10A (0.48) SCN10ANPC1RAB9APARP1NPY5R
SCHEMBL19488796 0.91 SCN10A (0.45) SCN10ANPC1RAB9APARP1NPY5R
SCHEMBL10201770 0.88 SCN10A (0.41) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL12404403 0.85 SCN10A (0.56) SCN10ANPC1RAB9APARP1NPY5R
SCHEMBL10200243 0.85 SCN10A (0.45) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL19488592 0.85 SCN10A (0.41) SCN10A
SCHEMBL15045647 0.83 SCN10A (0.54) SCN10ANPC1RAB9APARP1CDC7
SCHEMBL10236922 0.83 SCN10A (0.38) SCN10ACDC7CCNE1CDK2ROCK1
SCHEMBL13221481 0.82 NPC1 (0.36) SCN10ANPC1RAB9ANPY5RKDM4E
SCHEMBL10201149 0.82 NPC1 (0.36) SCN10ANPC1RAB9ANPY5RKDM4E

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 8 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-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
EP-2398794-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 EP disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SCN10A 4625/4885NPC1 65/4885RAB9A 2463/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SCN10A 4625/4885NPC1 65/4885RAB9A 2463/4885

“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.