SCHEMBL14905511

SCHEMBL14905511

COc1ccc2ncc(-c3cccnc3)c(Cl)c2n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.48
PDE2A O00408 3/20 0.48
CYP11B1 P15538 10/20 0.46
CYP11B2 P19099 10/20 0.46
CYP17A1 P05093 5/20 0.46
CYP3A4 P08684 3/20 0.46
CYP19A1 P11511 5/20 0.46
RAF1 P04049 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL14905509 0.85 DYRK1A (0.44) PDE10APDE2ACYP19A1RAF1PDGFRB
SCHEMBL14905518 0.78 PDE2A (0.47) PDE10APDE2A
SCHEMBL15886134 0.76 FGFR3 (0.57)
SCHEMBL28867703 0.74 PTPN11 (0.38) PDE10APDE2APDGFRBPDGFRA
SCHEMBL14905513 0.73 FGFR1 (0.43)
SCHEMBL14905395 0.73 FGFR1 (0.46) PDE10A
SCHEMBL14905375 0.73 PDGFRB (0.60) PDE10APDE2ACYP11B1CYP11B2CYP17A1
SCHEMBL14905348 0.72 EGFR (0.41) PDE10APDE2APDGFRBPDGFRA
SCHEMBL4507986 0.72 MAP4K4 (0.41) PDE10APDGFRBPDGFRA
SCHEMBL4502318 0.72 KCNH2 (0.43) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776436-B1 NEW COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2019-03-13 EP 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
US-20160108034-A1 NAPHTHYRIDINE DERIVATIVE COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2016-04-21 US disclosed
US-9309241-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2016-04-12 US disclosed
US-9309241-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2016-04-12 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
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 (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-20150057293-A1 NEW COMPOUNDS NQO1, NTPCR, NDC1 PDE10A 2833/4885PDE2A 2867/4885CYP11B1 299/4885
US-20170105978-A1 NEW COMPOUNDS NQO1, NTPCR, NDC1 PDE10A 2833/4885PDE2A 2867/4885CYP11B1 299/4885
US-20160108034-A1 NAPHTHYRIDINE DERIVATIVE COMPOUNDS NQO1, NDC1, NTPCR PDE10A 3827/4885PDE2A 3005/4885CYP11B1 275/4885

“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.