SCHEMBL398829

SCHEMBL398829

Nc1cccn2ncnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 7/20 0.60
SMPD3 Q9NY59 1/20 0.50
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
HTT P42858 2/20 0.45
GLA P06280 1/20 0.42
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
PDE10A Q9Y233 1/20 0.41
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATR Q13535 1/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
NFKB1 P19838 2/20 0.37
RAB9A P51151 2/20 0.37
NFKB2 Q00653 2/20 0.37
KMT2A Q03164 2/20 0.37
RELA Q04206 2/20 0.37

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
SCHEMBL1811759 0.77 AXL (0.52) MAP4K4SMPD3ALDH1A1KDM4EHTT
SCHEMBL2661228 0.75 ALDH1A1 (0.49) MAP4K4ALDH1A1KDM4EHTTGLA
SCHEMBL58274 0.75 MAP4K4 (1.00) MAP4K4SMPD3ALDH1A1KDM4EHTT
SCHEMBL19942301 0.75 MAP4K4 (0.46) MAP4K4SMPD3ALDH1A1KDM4EHTT
SCHEMBL2032616 0.75 MAP4K4 (0.46) MAP4K4SMPD3ALDH1A1KDM4EHTT
SCHEMBL5234266 0.75 MAP4K4 (0.46) MAP4K4SMPD3ALDH1A1KDM4EHTT
SCHEMBL9824111 0.75 MAP4K4 (0.50) MAP4K4ALDH1A1KDM4EHTTGLA
Hydrochloric Acid SCHEMBL15019896 0.73 MAP4K4 (0.96) MAP4K4ALDH1A1KDM4EHTTPDE10A
Iodide SCHEMBL30111106 0.73 MAP4K4 (0.96) MAP4K4ALDH1A1KDM4EHTTPDE10A
Hydrochloric Acid SCHEMBL30590600 0.73 MAP4K4 (0.96) MAP4K4ALDH1A1KDM4EHTTPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4251624-A1 TRICYCLIC CARBOXAMIDE DERIVATIVES AS PRMT5 INHIBITORS Amgen, Inc (US) 2023-10-04 EP disclosed
WO-2022115377-A1 TRICYCLIC CARBOXAMIDE DERIVATIVES AS PRMT5 INHIBITORS AMGEN INC. (US) 2022-06-02 WO disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC (US) 2019-05-09 US disclosed
US-10280184-B2 Heterocyclic kinase inhibitors ABBVIE INC. (US) 2019-05-07 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
EP-1983987-B1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-09-01 EP disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2007095188-A2 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-23 WO disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 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 (11 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MAP4K4 4549/4885SMPD3 1327/4885ALDH1A1 2165/4885
US-10280184-B2 Heterocyclic kinase inhibitors MAP3K1, MAP3K20, MAP3K19 MAP4K4 24/4885SMPD3 2027/4885ALDH1A1 1550/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 MAP4K4 4549/4885SMPD3 1327/4885ALDH1A1 2165/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MAP4K4 4549/4885SMPD3 1327/4885ALDH1A1 2165/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 MAP4K4 3878/4885SMPD3 384/4885ALDH1A1 2535/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MAP4K4 4549/4885SMPD3 1327/4885ALDH1A1 2165/4885
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 MAP4K4 24/4885SMPD3 2027/4885ALDH1A1 1550/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MAP4K4 4549/4885SMPD3 1327/4885ALDH1A1 2165/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 MAP4K4 4401/4885SMPD3 737/4885ALDH1A1 2651/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 MAP4K4 4417/4885SMPD3 906/4885ALDH1A1 2221/4885
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 MAP4K4 24/4885SMPD3 2015/4885ALDH1A1 1582/4885

“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.