SCHEMBL10201159

SCHEMBL10201159

C(#Cc1ccc2[nH]c([C@@H]3CCCN3)nc2c1)c1ccc(-c2nc[nH]c2[C@@H]2CCCN2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.41
PARP1 P09874 5/20 0.34
AURKA O14965 1/20 0.31
CDC7 O00311 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
ROCK1 Q13464 1/20 0.30
DBF4 Q9UBU7 1/20 0.30

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
SCHEMBL13221489 0.92 SCN10A (0.39) SCN10APARP1
SCHEMBL12423427 0.84 SCN10A (0.54) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL12406139 0.84 SCN10A (0.43) SCN10APARP1AURKACDC7CCNE1
SCHEMBL19488274 0.76 SCN10A (0.51) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL12509313 0.76 SCN10A (0.58) SCN10APARP1AURKACDC7CCNE1
SCHEMBL12798759 0.75 SCN10A (0.52) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL19488299 0.75 MCHR1 (0.31)
SCHEMBL9605019 0.74 SCN10A (0.56) SCN10APARP1AURKACDC7CCNE1
SCHEMBL1645792 0.74 SCN10A (0.56) SCN10APARP1AURKACDC7CCNE1
Hydrochloric Acid SCHEMBL1646698 0.73 SCN10A (0.55) SCN10APARP1CDC7CCNE1CDK2

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 10 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
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
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US 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 (3 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 4625/4885PARP1 3489/4885AURKA 4266/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SCN10A 4625/4885PARP1 3489/4885AURKA 4266/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SCN10A 4625/4885PARP1 3489/4885AURKA 4266/4885

“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.