SCHEMBL6478729

SCHEMBL6478729

Nc1n[nH]c2cc(Br)c(Br)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 10/20 0.59
JAK2 O60674 9/20 0.59
DYRK1A Q13627 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
JAK3 P52333 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
AURKA O14965 2/20 0.38
TGFBR1 P36897 2/20 0.38
ROCK1 Q13464 2/20 0.38
AURKB Q96GD4 2/20 0.38
CHUK O15111 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL18130782 0.85 JAK2 (0.53) PDPK1JAK2DYRK1AKDM4ECYP3A4
SCHEMBL6487323 0.84 JAK2 (0.52) PDPK1JAK2DYRK1AKDM4ECYP3A4
Hydrochloric Acid SCHEMBL21880093 0.82 JAK2 (0.50) PDPK1JAK2DYRK1AKDM4ECYP3A4
SCHEMBL6486222 0.77 JAK2 (0.45) PDPK1JAK2DYRK1AKDM4ECYP3A4
SCHEMBL10139762 0.74 JAK2 (0.50) PDPK1JAK2KDM4ECYP3A4GAA
SCHEMBL6479743 0.74 CDK2 (0.59) PDPK1JAK2GSK3BJAK3JAK1
SCHEMBL29549192 0.74 PDPK1 (1.00) PDPK1JAK2DYRK1AKDM4ECYP3A4
SCHEMBL786329 0.74 JAK2 (1.00) PDPK1JAK2DYRK1AKDM4ECYP3A4
SCHEMBL424831 0.74 PDPK1 (1.00) PDPK1JAK2DYRK1AKDM4ECYP3A4
SCHEMBL17514104 0.72 JAK2 (0.53) PDPK1JAK2DYRK1AKDM4ECYP3A4

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 PDPK1 4495/4885JAK2 1774/4885DYRK1A 1638/4885

“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.