SCHEMBL3517052

SCHEMBL3517052

Nc1cc(F)c2c(cnn2C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
CSNK1A1 P48729 1/20 0.42
GSK3A P49840 1/20 0.42
LIMK1 P53667 1/20 0.42
IKBKE Q14164 1/20 0.42
MAPK14 Q16539 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
HSP90AB1 P08238 1/20 0.33
MAPT P10636 1/20 0.30
LDHA P00338 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
SCHEMBL3516273 0.79 EGFR (0.39) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL25206206 0.77 PARP1 (0.31)
SCHEMBL3515408 0.71 CHEK1 (0.42) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL878217 0.70 CHEK1 (0.73) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL16109510 0.67 CHEK1 (0.55) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL15266566 0.67 HTT (0.33)
SCHEMBL21681603 0.64 NPC1 (0.35)
SCHEMBL388670 0.62 KMO (0.38) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL18168026 0.61 CHEK1 (0.45) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL38659090 0.61 ELANE (0.39) TAOK1CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-11-25 US disclosed
EP-2170865-A2 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2010-04-07 EP disclosed
WO-2009010660-A2 SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-01-22 WO 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-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS WEE1, PRMT1, ABL1 CHEK1 719/4885AURKA 524/4885DAPK3 4156/4885

“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.