SCHEMBL6479517

SCHEMBL6479517

Nc1n[nH]c2cc(-c3ccc(OCc4ccccc4)cc3Cl)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.50
GSK3B P49841 2/20 0.49
IKBKE Q14164 1/20 0.49
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
JAK3 P52333 1/20 0.48
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
BACE1 P56817 1/20 0.44
SGK1 O00141 1/20 0.44
PRMT5 O14744 4/20 0.44
TTK P33981 1/20 0.44
PDPK1 O15530 2/20 0.44
AURKA O14965 1/20 0.44
TGFBR1 P36897 1/20 0.44
AURKB Q96GD4 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HSP90AA1 P07900 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
SCHEMBL6479759 0.85 JAK2 (0.67) JAK2GSK3BIKBKEMKNK1MKNK2
SCHEMBL11963403 0.84 IKBKE (0.54) JAK2GSK3BIKBKEPRMT5TTK
SCHEMBL6478270 0.84 GSK3B (0.63) JAK2GSK3BIKBKEJAK1TYK2
SCHEMBL6479373 0.82 JAK2 (0.63) JAK2GSK3BIKBKEMKNK1MKNK2
SCHEMBL6480487 0.79 GSK3B (0.78) GSK3B
SCHEMBL6491284 0.79 IKBKE (0.58) JAK2GSK3BIKBKESGK1PRMT5
SCHEMBL6488370 0.78 IKBKE (0.57) JAK2GSK3BIKBKEPRMT5TTK
SCHEMBL18639883 0.77 MAOB (0.49) JAK2PDPK1
SCHEMBL627903 0.77 TTK (0.59) JAK2IKBKEPRMT5TTKKDM4E
SCHEMBL6478211 0.76 JAK2 (0.78) JAK2GSK3BJAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US claimed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US claimed
EP-1487804-B1 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2014-02-26 EP disclosed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US disclosed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 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 (1 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-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof CYP2C8, NR0B2, NR2C2 JAK2 1774/4885GSK3B 2342/4885IKBKE 2188/4885

“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.