SCHEMBL16859945

SCHEMBL16859945

CN(C)CCn1cc(-c2cnc3[nH]cc(I)c3c2)cn1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.60
PIK3CA P42336 1/20 0.60
ALK Q9UM73 14/20 0.49
BRD4 O60885 1/20 0.43
MAP4K4 O95819 4/20 0.42
TGFBR1 P36897 4/20 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
SCHEMBL720228 0.80 ALK (0.57) PDPK1ALKBRD4
SCHEMBL16859938 0.76 PIK3CA (0.52) PDPK1PIK3CABRD4MAP4K4TGFBR1
SCHEMBL1456024 0.75 PDPK1 (1.00) PDPK1PIK3CA
SCHEMBL21626714 0.75 PDPK1 (0.49) PDPK1PIK3CAALKMAP4K4TGFBR1
SCHEMBL15154878 0.75 PDPK1 (0.55) PDPK1PIK3CAALK
SCHEMBL1456750 0.75 PDPK1 (0.79) PDPK1PIK3CAALK
SCHEMBL15562555 0.74 PDPK1 (0.42) PDPK1PIK3CAALKMAP4K4TGFBR1
SCHEMBL2423369 0.74 PDPK1 (0.81) PDPK1PIK3CA
SCHEMBL1456557 0.73 PDPK1 (0.85) PDPK1PIK3CA
SCHEMBL1457243 0.72 PDPK1 (0.80) PDPK1PIK3CA

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 PDPK1 25/4885PIK3CA 48/4885ALK 438/4885

“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.