SCHEMBL16859933

SCHEMBL16859933

CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4[nH]cc(-c5cnn(Cc6cc(F)cc(F)c6)c5)c4c3)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.61
SIK1 P57059 1/20 0.49
SIK3 Q9Y2K2 1/20 0.49
MET P08581 3/20 0.45
PAK1 Q13153 2/20 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
SCHEMBL15562546 0.89 ALK (0.65) ALKSIK1SIK3METPAK1
SCHEMBL17273504 0.86 ALK (0.56) ALK
SCHEMBL15562854 0.85 ALK (0.53) ALKMETPAK1
SCHEMBL16870793 0.84 ALK (0.69) ALKSIK1SIK3MET
SCHEMBL16870924 0.84 ALK (0.69) ALKSIK1SIK3METPAK1
SCHEMBL16859959 0.84 ALK (0.71) ALKSIK1SIK3METPAK1
Hydrochloric Acid SCHEMBL16859950 0.83 ALK (0.70) ALKSIK1SIK3METPAK1
SCHEMBL15556605 0.82 ALK (0.59) ALK
SCHEMBL17273493 0.82 ALK (0.59) ALK
SCHEMBL15562498 0.81 PAK1 (0.49) METPAK1

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-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 US disclosed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 US disclosed
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 (2 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 438/4885SIK1 382/4885SIK3 400/4885
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K6 ALK 408/4885SIK1 340/4885SIK3 327/4885

“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.