SCHEMBL14905376

SCHEMBL14905376

Clc1ccc2ncc(-c3cccnc3)cc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.60
PDGFRB P09619 2/20 0.54
PDGFRA P16234 2/20 0.54
EGFR P00533 1/20 0.54
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP11B1 P15538 3/20 0.43
QPCT Q16769 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
CYP19A1 P11511 3/20 0.42
CYP11B2 P19099 2/20 0.42
CYP17A1 P05093 1/20 0.42
MAPK10 P53779 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL15884855 0.83 MAPK10 (0.46) CYP2A6PDGFRBPDGFRAALDH1A1MAPK10
SCHEMBL14905390 0.82 PDGFRB (0.57) PDGFRBPDGFRAEGFRCYP1A2CYP3A4
SCHEMBL15885495 0.82 PIK3CD (0.41) CYP2A6PDGFRBPDGFRAEGFRCYP3A4
SCHEMBL15885105 0.82 CYP2A6 (0.43) CYP2A6PDGFRBPDGFRAEGFRCYP19A1
SCHEMBL14905530 0.81 PDGFRB (0.61) CYP2A6PDGFRBPDGFRAEGFRCYP1A2
SCHEMBL17247712 0.81 CYP2A6 (0.43) CYP2A6PDGFRBPDGFRAEGFRCYP1A2
SCHEMBL15885100 0.81 CYP2A6 (0.43) CYP2A6PDGFRBPDGFRAEGFRCYP11B1
SCHEMBL15884963 0.80 MAPK10 (0.47) CYP2A6PDGFRBPDGFRACYP11B1CYP11B2
SCHEMBL15885280 0.79 PIK3CD (0.46) CYP2A6ALDH1A1LMNAPIK3CDPIK3CA
SCHEMBL15884854 0.79 RIPK2 (0.41) CYP2A6PDGFRBPDGFRAEGFRCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed
EP-2776436-B1 NEW COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2019-03-13 EP disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-9757364-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2017-09-12 US disclosed
US-9757364-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2017-09-12 US disclosed
US-20170105978-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2017-04-20 US disclosed
US-20170105978-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2017-04-20 US disclosed
US-9527844-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-12-27 US disclosed
US-9527844-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-12-27 US disclosed
EP-2944637-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM Corporation (JP) 2015-11-18 EP disclosed
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-11-12 US disclosed
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-11-12 US disclosed
US-20150057293-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-02-26 US disclosed
US-20150057293-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-02-26 US disclosed
US-20140323721-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC 2014-10-30 US disclosed
US-20140323721-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC 2014-10-30 US disclosed
WO-2014109414-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF 富士フイルム株式会社 (JP) 2014-07-17 WO disclosed
WO-2013078441-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-05-30 WO disclosed
WO-2013061077-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2013-05-02 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-20150057293-A1 NEW COMPOUNDS NQO1, NTPCR, NDC1 CYP2A6 424/4885PDGFRB 3569/4885PDGFRA 3281/4885
US-20170105978-A1 NEW COMPOUNDS NQO1, NTPCR, NDC1 CYP2A6 424/4885PDGFRB 3569/4885PDGFRA 3281/4885
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF NPM1, NAP1L1, REN CYP2A6 3568/4885PDGFRB 3956/4885PDGFRA 3780/4885
US-20140323721-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CYP2A6 2417/4885PDGFRB 959/4885PDGFRA 1100/4885

“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.