SCHEMBL12405016

SCHEMBL12405016

Cc1ccc(-c2ncc(-c3ccc4[nH]c([C@@H]5CCCN5)nc4c3)o2)cc1NC(=O)[C@@H]1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.39
▸ HDAC2 Q92769 1/20 0.37
▸ GSK3B P49841 3/20 0.37
▸ DYRK1A Q13627 3/20 0.37
▸ WNT1 P04628 2/20 0.37
▸ SCN3A Q9NY46 2/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ PARP1 P09874 2/20 0.35
▸ ATR Q13535 2/20 0.35
▸ PSMB8 P28062 2/20 0.35
▸ CCNE2 O96020 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL12403445 0.89 SCN3A (0.37) DHODHHDAC2GSK3BDYRK1AWNT1
SCHEMBL12403439 0.88 SCN3A (0.47) DHODHGSK3BDYRK1AWNT1SCN3A
SCHEMBL12406273 0.87 PTGES (0.38) DHODHHDAC2GSK3BDYRK1AWNT1
SCHEMBL10201555 0.87 DHODH (0.43) DHODHSCN3ASCN9APARP1PSMB8
SCHEMBL12403437 0.87 DHODH (0.43) DHODHSCN3ASCN9APARP1PSMB8
SCHEMBL19488545 0.84 DHODH (0.36) DHODHHDAC2GSK3BDYRK1AWNT1
SCHEMBL12403441 0.81 PRCP (0.37) —
SCHEMBL12799037 0.80 SCN10A (0.50) GSK3BDYRK1ASCN10APARP1CCNE1
SCHEMBL19488543 0.80 DHODH (0.34) DHODHGSK3BDYRK1AWNT1SCN3A
SCHEMBL12406153 0.80 KCNH2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19

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-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
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 DHODH 1550/4885HDAC2 3222/4885GSK3B 519/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS DHODH 1550/4885HDAC2 3222/4885GSK3B 519/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS DHODH 1550/4885HDAC2 3222/4885GSK3B 519/4885

“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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