SCHEMBL12403445

SCHEMBL12403445

O=C(Nc1ccc(-c2ncc(-c3ccc4[nH]c([C@@H]5CCCN5)nc4c3)o2)cc1F)[C@@H]1CCCN1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 2/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ DHODH Q02127 3/20 0.36
▸ HDAC2 Q92769 1/20 0.35
▸ GSK3B P49841 3/20 0.35
▸ DYRK1A Q13627 3/20 0.35
▸ WNT1 P04628 2/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ ATR Q13535 2/20 0.35
▸ PSMB8 P28062 2/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 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
SCHEMBL12405016 0.89 DHODH (0.39) SCN3ASCN9ADHODHHDAC2GSK3B
SCHEMBL19488874 0.89 SCN3A (0.34) SCN3ASCN9ADHODHGSK3BDYRK1A
SCHEMBL12403439 0.88 SCN3A (0.47) SCN3ASCN9ADHODHGSK3BDYRK1A
SCHEMBL10201555 0.87 DHODH (0.43) SCN3ASCN9ADHODHPARP1PSMB8
SCHEMBL12403437 0.87 DHODH (0.43) SCN3ASCN9ADHODHPARP1PSMB8
SCHEMBL12406273 0.84 PTGES (0.38) SCN3ASCN9ADHODHHDAC2GSK3B
SCHEMBL19488875 0.83 DHODH (0.35) SCN3ASCN9ADHODHHDAC2GSK3B
SCHEMBL12799037 0.80 SCN10A (0.50) GSK3BDYRK1APARP1SCN10ACCNE1
SCHEMBL10201551 0.77 GSK3B (0.35) SCN3ASCN9ADHODHGSK3BDYRK1A
SCHEMBL13258563 0.76 SCN3A (0.35) SCN3ASCN9ADHODHHDAC2GSK3B

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 9 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-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 — — US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 — — US disclosed
WO-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 — — WO 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 SCN3A 4428/4885SCN9A 4692/4885DHODH 1550/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SCN3A 4428/4885SCN9A 4692/4885DHODH 1550/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SCN3A 4428/4885SCN9A 4692/4885DHODH 1550/4885

“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.

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