SCHEMBL798353

SCHEMBL798353

N#Cc1cnccc1CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2A6 P11509 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2C8 P10632 3/20 0.41
CYP2B6 P20813 3/20 0.41
CYP2C9 P11712 3/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.38
CDK1 P06493 2/20 0.37
KDR P35968 2/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
GPR119 Q8TDV5 7/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CLK1 P49759 1/20 0.35
KCNH2 Q12809 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6136913 0.89 CYP2E1 (0.39) CYP2E1CYP2D6CYP2A6CYP2C19CYP2C8
SCHEMBL15467814 0.85 HTT (0.40) HTTKDM4ECDK1KDRNCOA3
SCHEMBL3280017 0.85 NCOA3 (0.42) CYP2E1CYP2D6CYP2A6CYP2C19CYP2C8
SCHEMBL6626248 0.81 CYP2E1 (0.59) CYP2E1CYP2D6CYP2A6CYP2C19CYP2C8
SCHEMBL31421458 0.81 CYP2D6 (0.47) CYP2E1CYP2D6CYP2A6CYP2C19CYP2C8
SCHEMBL7219105 0.79 CYP2E1 (0.49) CYP2E1CYP2D6CYP2A6CYP2C19CYP2C8
SCHEMBL11366480 0.77 HTR1A (0.43) CYP2E1CYP2D6CYP2A6CYP2C19CYP2C8
SCHEMBL2982329 0.77 HTR6 (0.48) CYP2E1CYP2D6CYP2A6CYP2C19CYP2C8
SCHEMBL6472029 0.77 CYP2E1 (0.48) CYP2E1CYP2D6CYP2A6CYP2C19CYP2C8
SCHEMBL10526908 0.77 HTT (0.42) CYP2E1CYP2D6CYP2A6CYP2C19CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
US-7601736-B2 Such as 3,4-dihydro-pyrano[3,4-c]pyridine-1-on; cytokine suppressive antiinflammatory drugs; analgesics SK CHEMICALS CO., LTD. (KR) 2009-10-13 US disclosed
EP-1706412-A4 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS CO LTD (KR) 2009-03-18 EP disclosed
US-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same SK CHEMICALS CO., LTD. (KR) 2007-11-01 US disclosed
EP-1706412-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK Chemicals, Co., Ltd. (KR) 2006-10-04 EP disclosed
WO-2005063768-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS, CO., LTD. (KR) 2005-07-14 WO 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-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same IL5, IL1B, P2RY4 CYP2E1 325/4885CYP2D6 355/4885CYP2A6 338/4885
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 CYP2E1 109/4885CYP2D6 129/4885CYP2A6 112/4885

“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.