SCHEMBL16867136

SCHEMBL16867136

CC(C)(C)OC(=O)n1cc(-c2cnn(Cc3ccccc3)c2)c2cc(Br)cnc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 1/20 0.49
CREBBP Q92793 10/20 0.42
ALK Q9UM73 2/20 0.42
SCD O00767 2/20 0.41
SCD5 Q86SK9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
JAK1 P23458 1/20 0.40
POLQ O75417 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
PIK3CD O00329 1/20 0.38

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
SCHEMBL25259725 0.78 ELANE (0.47)
SCHEMBL30068780 0.78 ELANE (0.47)
SCHEMBL28614298 0.78 PTPN11 (0.40)
SCHEMBL28600232 0.77 GPR119 (0.38) L3MBTL1
SCHEMBL28605059 0.76 BRD4 (0.38) L3MBTL1
SCHEMBL22922572 0.76 CYP1A2 (0.37)
SCHEMBL719766 0.75 KDR (0.49) ALK
SCHEMBL28600236 0.75 AAK1 (0.36) L3MBTL1JAK1
SCHEMBL29915211 0.74 GPR119 (0.38)
SCHEMBL23087273 0.74 GPR119 (0.38)

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 2 patents. 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
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 DYRK1B 325/4885CREBBP 936/4885ALK 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.