SCHEMBL1423059

SCHEMBL1423059

c1cncc(-c2nnc(-c3cnc4ccccc4c3)o2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.70
▸ NPC1 O15118 7/20 0.56
▸ RAB9A P51151 7/20 0.56
▸ PDGFRB P09619 1/20 0.53
▸ PDGFRA P16234 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.52
▸ HSD17B10 Q99714 5/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ KDM4E B2RXH2 5/20 0.50
▸ HPGD P15428 4/20 0.50
▸ MAPK1 P28482 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL4169352 0.85 BIRC5 (0.54) CYP2A6NPC1RAB9APDGFRBPDGFRA
SCHEMBL11987321 0.85 NPC1 (0.54) CYP2A6NPC1RAB9APDGFRBPDGFRA
SCHEMBL29746239 0.83 CYP2A6 (1.00) CYP2A6NPC1RAB9APDGFRBPDGFRA
SCHEMBL3612716 0.83 CYP2A6 (1.00) CYP2A6NPC1RAB9APDGFRBPDGFRA
SCHEMBL11987330 0.82 PDGFRB (0.51) CYP2A6NPC1RAB9APDGFRBPDGFRA
SCHEMBL11987344 0.82 CYP1A2 (0.58) CYP2A6NPC1RAB9APDGFRBPDGFRA
SCHEMBL11987345 0.81 NPC1 (0.51) CYP2A6NPC1RAB9APDGFRBPDGFRA
SCHEMBL1423021 0.81 CYP17A1 (0.68) NPC1RAB9AALDH1A1HSD17B10KMT2A
SCHEMBL23288074 0.81 RAB9A (0.69) CYP2A6NPC1RAB9AALDH1A1HSD17B10
SCHEMBL29832072 0.80 CYP2A6 (0.93) CYP2A6NPC1RAB9APDGFRBPDGFRA

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBVIE INC (US) 2016-01-28 — — US claimed
EP-2974727-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbvie Inc. (US) 2016-01-20 — — EP claimed
EP-2226074-B1 Pharmaceutical compositions and their methods of use ABBVIE INC (US) 2015-11-04 — — EP claimed
EP-2101763-B1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LAB (US) 2012-07-18 — — EP claimed
EP-2226074-A2 Pharmaceutical compositions and their methods of use Abbott Laboratories (US) 2010-09-08 — — EP claimed
EP-2101763-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-09-23 — — EP claimed
US-20080255203-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-10-16 — — US claimed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 — — US claimed
WO-2008073942-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-19 — — WO claimed
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBVIE INC (US) 2016-01-28 — — US disclosed
EP-2974727-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbvie Inc. (US) 2016-01-20 — — EP disclosed
US-9186407-B2 Pharmaceutical compositions and their methods of use ABBVIE INC. (US) 2015-11-17 — — US disclosed
EP-2226074-B1 Pharmaceutical compositions and their methods of use ABBVIE INC (US) 2015-11-04 — — EP disclosed
US-9040568-B2 Pharmaceutical compositions for the treatment of pain ABBVIE INC. (US) 2015-05-26 — — US disclosed
EP-2101763-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-09-23 — — EP disclosed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 — — US disclosed
WO-2008127464-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-10-23 — — WO disclosed
US-20080255203-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-10-16 — — US disclosed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 — — US disclosed
WO-2008073942-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-19 — — 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 (4 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-20080255203-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE CYP11B2, AADAC, CYP11B1 CYP2A6 61/4885NPC1 473/4885RAB9A 3859/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 CYP2A6 216/4885NPC1 1201/4885RAB9A 4444/4885
US-20080167286-A1 Pharmaceutical compositions and their methods of use CHRNA4, CHRNB4, CHRNA5 CYP2A6 2255/4885NPC1 1677/4885RAB9A 1978/4885
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE CHRNA4, CHRNB4, CHRNA5 CYP2A6 2255/4885NPC1 1677/4885RAB9A 1978/4885

“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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