SCHEMBL15599392

SCHEMBL15599392

CC(=O)Nc1cccc(Cn2nc(C)c(-c3c[nH]c4ncc(-c5ccc(N6CCN(Cl)CC6)cc5)cc34)c2C)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 4/20 0.54
ALK Q9UM73 3/20 0.54
KIT P10721 1/20 0.45
NTRK1 P04629 1/20 0.44
MAP4K1 Q92918 6/20 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
IL2 P60568 2/20 0.41
IGF1R P08069 1/20 0.41
MAP3K11 Q16584 1/20 0.41
RIPK1 Q13546 2/20 0.41

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
SCHEMBL17273499 0.92 ALK (0.54) TNIKALKKITNTRK1MAP4K1
SCHEMBL15556926 0.89 ALK (0.49) TNIKALKKITNTRK1MAP4K1
SCHEMBL15599391 0.88 ALK (0.59) TNIKALKKITMAP4K1IL2
SCHEMBL15599469 0.88 ALK (0.69) TNIKALKKITMAP4K1IL2
SCHEMBL15599468 0.88 ALK (0.58) TNIKALKMAP4K1IL2MAP3K11
SCHEMBL15599271 0.85 ALK (0.56) ALKKITNTRK1MAP4K1IL2
SCHEMBL15599359 0.85 ALK (0.56) TNIKALKMAP4K1IL2MAP3K11
SCHEMBL15599378 0.85 ALK (0.56) TNIKALKKITNTRK1MAP4K1
SCHEMBL15557771 0.83 ALK (0.66) TNIKALKMAP4K1IL2MAP3K11
SCHEMBL15599345 0.83 ALK (0.55) TNIKALKMAP4K1IL2MAP3K11

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
WO-2014006554-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-01-09 WO 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-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K6 TNIK 341/4885ALK 408/4885KIT 612/4885

“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.