SCHEMBL17273395

SCHEMBL17273395

CC(C)(C)OC(=O)N1CCC(Nc2cccc(-c3cnc4[nH]cc(-c5cnn(CCc6ccccc6)c5)c4c3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 11/20 0.48
▸ JAK1 P23458 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ RIPK1 Q13546 2/20 0.43
▸ TNIK Q9UKE5 1/20 0.41
▸ IGF1R P08069 2/20 0.41
▸ NEK1 Q96PY6 1/20 0.41
▸ SGK1 O00141 1/20 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
SCHEMBL17273343 0.89 ALK (0.49) ALKMAPK1NEK1SGK1
SCHEMBL17273331 0.88 ALK (0.48) ALKMAPK1NEK1SGK1
SCHEMBL17273308 0.86 ALK (0.51) ALKMAPK1TNIKSGK1
SCHEMBL15562854 0.86 ALK (0.53) ALK
SCHEMBL17273526 0.86 ALK (0.48) ALKMAPK1SGK1
SCHEMBL17273498 0.85 ALK (0.52) ALKMAPK1TNIKSGK1
SCHEMBL15557646 0.84 ALK (0.55) ALKMAPK1RIPK1SGK1
SCHEMBL17273330 0.83 ALK (0.59) ALKJAK1MAPK1
SCHEMBL17273344 0.83 PTPN11 (0.38) —
SCHEMBL15556605 0.78 ALK (0.59) ALKMAPK1

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-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

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 ALK 408/4885JAK1 83/4885MAPK1 97/4885

“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.

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