SCHEMBL6489550

SCHEMBL6489550

Nc1n[nH]c2cc(-c3ccc(OCc4ccccc4)cc3)c(-c3cccnc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
CYP19A1 P11511 2/20 0.51
PRMT5 O14744 2/20 0.51
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA2 P54646 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
IKBKE Q14164 1/20 0.49
GSK3B P49841 3/20 0.47
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSP90AA1 P07900 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BRAF P15056 1/20 0.44

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
SCHEMBL6488370 0.91 IKBKE (0.57) PRMT5IKBKEGSK3BMAPTNPSR1
SCHEMBL6491284 0.90 IKBKE (0.58) PRMT5PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6489684 0.84 IKBKE (0.55) PRMT5PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6490350 0.82 GSK3B (0.60) CYP11B1CYP11B2CYP19A1GSK3BTTK
SCHEMBL6491022 0.81 IKBKE (0.54) PRMT5IKBKEGSK3BMAPTNPSR1
SCHEMBL6478270 0.81 GSK3B (0.63) PRMT5PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6488359 0.81 IKBKE (0.49) PRMT5IKBKEGSK3BMAPTTTK
SCHEMBL6489278 0.81 GSK3B (0.76) GSK3B
SCHEMBL6479422 0.80 IKBKE (0.48) PRMT5IKBKEGSK3BTTKNTRK1
SCHEMBL6479759 0.77 JAK2 (0.67) PRMT5IKBKEGSK3BMAPTGSTP1

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 CYP11B1 32/4885CYP11B2 17/4885CYP19A1 341/4885

“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.