SCHEMBL16870820

SCHEMBL16870820

Cc1nn(Cc2cccc(F)c2)c(C)c1-c1c[nH]c2ncc(-c3cnn(C4CCN(Cl)CC4)c3)cc12

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 12/20 0.74
MET P08581 4/20 0.53
PAK1 Q13153 3/20 0.46
PAK4 O96013 1/20 0.46
SIK1 P57059 1/20 0.45
SIK3 Q9Y2K2 1/20 0.45

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
SCHEMBL16870835 0.92 ALK (0.62) ALKMETPAK1PAK4
Hydrochloric Acid SCHEMBL15562388 0.91 ALK (0.75) ALKMETPAK1PAK4SIK1
SCHEMBL16870862 0.89 ALK (0.57) ALKMETPAK1PAK4SIK1
SCHEMBL16870976 0.87 ALK (0.73) ALKMETPAK1PAK4SIK1
SCHEMBL16859953 0.85 ALK (1.00) ALK
SCHEMBL16870816 0.84 ALK (0.70) ALKMETPAK1PAK4
SCHEMBL16859942 0.83 ALK (0.64) ALKMETPAK1PAK4SIK1
SCHEMBL15599469 0.83 ALK (0.69) ALK
Hydrochloric Acid SCHEMBL15562439 0.83 ALK (0.63) ALKMETPAK1PAK4SIK1
SCHEMBL15562455 0.80 ALK (0.81) ALKMET

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-20150183781-A1 5-(1H-Pyrazol-4-yl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-07-02 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-20150183781-A1 5-(1H-Pyrazol-4-yl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K1, MAP3K5, MAP3K3 ALK 438/4885MET 1183/4885PAK1 66/4885

“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.