Sugi Predict

Sugi Predict / Compounds / SCHEMBL6490868

SCHEMBL6490868

SCHEMBL6490868

Nc1n[nH]c2c(F)c(F)c(Br)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 3/20 0.39
▸ JAK2 O60674 3/20 0.39
▸ CHEK1 O14757 2/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ PLK3 Q9H4B4 1/20 0.35
▸ DYRK1A Q13627 2/20 0.33
▸ MAP4K4 O95819 2/20 0.33
▸ CSF1R P07333 2/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ PDGFRA P16234 2/20 0.33
▸ LTK P29376 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ CSNK1A1 P48729 2/20 0.33
▸ LIMK1 P53667 2/20 0.33
▸ CDK5 Q00535 2/20 0.33
▸ ACVR1 Q04771 2/20 0.33
▸ TNK2 Q07912 2/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ CLK4 Q9HAZ1 2/20 0.33
▸ DYRK1B Q9Y463 2/20 0.33

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
SCHEMBL22532396 0.77 PDPK1 (0.43) PDPK1JAK2CHEK1FLT3PLK3
SCHEMBL6488798 0.73 CA12 (0.38) PDPK1JAK2KDM4EGAAMAPK1
SCHEMBL6477758 0.70 CCNE2 (0.37) KDM4ECYP3A4MAPK1CDK7CDK9
SCHEMBL1375651 0.70 AURKB (0.57) PDPK1JAK2CHEK1FLT3PLK3
SCHEMBL1376287 0.68 CHEK1 (0.46) PDPK1JAK2CHEK1FLT3PLK3
SCHEMBL786095 0.68 GPR84 (0.40) PDPK1JAK2CHEK1FLT3PLK3
SCHEMBL6478729 0.67 PDPK1 (0.59) PDPK1JAK2DYRK1AKDRAURKB
SCHEMBL24427711 0.67 CHEK1 (0.44) PDPK1JAK2CHEK1FLT3PLK3
SCHEMBL18130808 0.66 JAK2 (0.43) PDPK1JAK2CHEK1FLT3PLK3
SCHEMBL18130738 0.66 JAK2 (0.43) PDPK1JAK2CHEK1FLT3PLK3

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 1774/4885CHEK1 3766/4885

“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.