SCHEMBL4301666

SCHEMBL4301666

Cc1cc(C(=O)c2c[nH]c3ncc(-c4cccc(NS(C)(=O)=O)c4)cc23)nn1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.51
TNIK Q9UKE5 6/20 0.48
BTK Q06187 3/20 0.44
ITK Q08881 3/20 0.44
NTRK1 P04629 1/20 0.44
KIT P10721 1/20 0.44
PAK1 Q13153 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK2 Q92630 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
AXL P30530 1/20 0.43
CAMKK2 Q96RR4 2/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL857600 0.86 TNIK (0.48) PIK3CATNIKBTKITKNTRK1
SCHEMBL10263401 0.84 AAK1 (0.49) PIK3CABTKITKNTRK1PAK1
SCHEMBL857911 0.84 KIT (0.52) PIK3CATNIKNTRK1KITPAK1
SCHEMBL858062 0.83 AXL (0.56) ITKNTRK1PAK1DYRK1AAXL
SCHEMBL858780 0.81 BRD4 (0.51) PIK3CANTRK1KITPAK1DYRK1A
SCHEMBL878650 0.81 TNIK (0.54) PIK3CATNIKBTKITKNTRK1
SCHEMBL856931 0.80 BTK (0.50) PIK3CATNIKBTKITKKIT
SCHEMBL857599 0.80 BRAF (0.54) PIK3CATNIKBTKITKPAK1
SCHEMBL297360 0.80 CYP2C9 (0.56) PIK3CATNIKBTKITKCYP2C9
SCHEMBL414867 0.80 TNIK (0.53) PIK3CATNIKBTKITKPAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306126-A1 Indole Derivatives ASTRAZENECA AB (SE) 2009-12-10 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-20090306126-A1 Indole Derivatives MTOR, IDO1, AKT1S1 PIK3CA 27/4885TNIK 453/4885BTK 203/4885

“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.