SCHEMBL2456178

SCHEMBL2456178

c1cn(C(n2ccnc2)n2ccnc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.48
CYP17A1 P05093 4/20 0.42
NFKB1 P19838 1/20 0.41
QPCT Q16769 1/20 0.41
HSD17B10 Q99714 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLA2G1B P04054 1/20 0.41
TP53 P04637 1/20 0.41
PGR P06401 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
IDO1 P14902 1/20 0.41
HPGD P15428 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL2765579 0.89 CYP19A1 (0.44) CYP19A1CYP17A1NFKB1QPCTHSD17B10
Butadiene SCHEMBL2766747 0.85 CYP17A1 (0.41) CYP19A1CYP17A1NFKB1QPCTHSD17B10
SCHEMBL86131 0.77
SCHEMBL426940 0.77
SCHEMBL459642 0.77 CYP19A1 (0.48) CYP19A1CYP17A1NFKB1QPCTHSD17B10
SCHEMBL28649645 0.77
SCHEMBL19458983 0.77
SCHEMBL5493826 0.77 CYP19A1 (0.45) CYP19A1CYP17A1NFKB1QPCTHSD17B10
SCHEMBL3825883 0.77
SCHEMBL8280573 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371831-B1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO (JP) 2016-09-07 EP disclosed
US-9133098-B2 Process for producing organolithium compound and process for producing substituted aromatic compound NIPPON SODA CO., LTD. (JP) 2015-09-15 US disclosed
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO., LTD. (JP) 2015-01-22 US disclosed
US-8871970-B2 Process for producing organolithium compound and process for producing substituted aromatic compound NIPPON SODA CO., LTD. (JP) 2014-10-28 US disclosed
EP-2371831-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND Nippon Soda Co., Ltd. (JP) 2011-10-05 EP disclosed
US-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO., LTD. 2011-09-15 US disclosed
US-7368516-B2 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2008-05-06 US disclosed
US-20050187419-A1 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2005-08-25 US disclosed
US-6900152-B2 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2005-05-31 US disclosed
US-20020035029-A1 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2002-03-21 US disclosed
US-6337297-B1 CHROMIUM CATALYST FOR TRIMERIZATION OF ETHYLENE WITH MULTIDENTATE LIGAND OR HALOGEN, CARBOXY GROUP TOSOH CORPORATION (JP) 2002-01-08 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 (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-20050187419-A1 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst ACMSD, TAF9, ETV6 CYP19A1 550/4885CYP17A1 2001/4885NFKB1 1579/4885
US-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 CYP19A1 1365/4885CYP17A1 776/4885NFKB1 1254/4885
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 CYP19A1 1365/4885CYP17A1 776/4885NFKB1 1254/4885

“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.