SCHEMBL5877246

SCHEMBL5877246

Nc1n[nH]c2c1C=CC(c1ccccc1)(c1ccncc1)C2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
MAP4K4 O95819 1/20 0.30
CSF1R P07333 1/20 0.30
FGFR1 P11362 1/20 0.30
PDGFRA P16234 1/20 0.30
LTK P29376 1/20 0.30
KDR P35968 1/20 0.30
MAPK8 P45983 1/20 0.30
CSNK1A1 P48729 1/20 0.30
LIMK1 P53667 1/20 0.30
CDK5 Q00535 1/20 0.30
ACVR1 Q04771 1/20 0.30
TNK2 Q07912 1/20 0.30
AURKB Q96GD4 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL5876082 0.95 PDPK1 (0.32)
SCHEMBL5876464 0.93 MAP4K4 (0.33) BACE1MAP4K4CSF1RFGFR1PDGFRA
SCHEMBL5876226 0.89 ATR (0.32) BACE1
SCHEMBL5877250 0.86 NPY5R (0.32) MAP4K4CSF1RFGFR1LTKKDR
SCHEMBL5876973 0.86
SCHEMBL5877979 0.84 ALPL (0.33)
SCHEMBL5878220 0.84
SCHEMBL6801584 0.83 MKNK1 (0.38) MAP4K4CSF1RAURKBCLK4
SCHEMBL6800112 0.83 MKNK1 (0.38) MAPK8
SCHEMBL5876421 0.83 BACE1 (0.36) BACE1MAP4K4CSF1RFGFR1PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT BACE1 3140/4885BACE2 3439/4885MAP4K4 2944/4885

“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.