SCHEMBL3607639

SCHEMBL3607639

[c]1cncc(N2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.43
CHRNB2 P17787 9/20 0.37
CHRNA4 P43681 9/20 0.37
CHRNA1 P02708 1/20 0.34
CHRNA7 P36544 1/20 0.34
TERT O14746 2/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4162890 0.98 CHKA (0.42) CHKACHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5659840 0.98 CHKA (0.42) CHKACHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5656747 0.98 CHKA (0.42) CHKACHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL2066752 0.96 CHKA (0.39) CHKACHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5657082 0.84 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL3518237 0.82 LMNA (0.42) MAPTKDM4EMEN1NPC1USP2
SCHEMBL3722313 0.82 ADRA2C (0.40) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL4163945 0.80 MAPT (0.37) CHRNB2CHRNA4MAPTHTT
SCHEMBL5658207 0.79
SCHEMBL3730742 0.77 CHKA (0.43) CHKATERTMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-23 US claimed
US-9540351-B2 Pharmaceutically acceptable salts of 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-10 US claimed
EP-3046918-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2016-07-27 EP claimed
US-9382237-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-07-05 US claimed
US-9365556-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-14 US claimed
US-9346792-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-05-24 US claimed
US-20150105389-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2015-04-16 US claimed
EP-2852586-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2015-04-01 EP claimed
CN-104487429-A Heterocyclic flavone derivatives, compositions, and methods related thereto UNIV EMORY 2015-04-01 CN claimed
WO-2015042111-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2015-03-26 WO claimed
US-20150080397-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2015-03-19 US claimed
US-20150080398-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2015-03-19 US claimed
EP-2834232-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2015-02-11 EP claimed
US-8916555-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2014-12-23 US claimed
US-20130303492-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2013-11-14 US claimed
US-20130274227-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2013-10-17 US claimed
WO-2013138613-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2013-09-19 WO claimed
WO-2013138617-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2013-09-19 WO claimed
CN-115531387-A Pyrazole amide compounds useful as IRAK inhibitors 里格尔药品股份有限公司 2022-12-30 CN disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP 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 (6 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-20130274227-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 CHKA 188/4885CHRNB2 1312/4885CHRNA4 1832/4885
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS GRK3, DMPK, PRKAG3 CHKA 167/4885CHRNB2 1666/4885CHRNA4 1925/4885
US-20150080398-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 CHKA 188/4885CHRNB2 1312/4885CHRNA4 1832/4885
US-20150105389-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 CHKA 188/4885CHRNB2 1312/4885CHRNA4 1832/4885
US-20150080397-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS GRK3, DMPK, PRKAG3 CHKA 167/4885CHRNB2 1666/4885CHRNA4 1925/4885
US-20130303492-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 CHKA 188/4885CHRNB2 1312/4885CHRNA4 1832/4885

“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.