SCHEMBL17273308

SCHEMBL17273308

CC(C)(C)OC(=O)N1CCC(c2ccc(-c3cnc4[nH]cc(-c5cnn(CCc6ccccc6)c5)c4c3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 12/20 0.51
▸ IL2 P60568 1/20 0.47
▸ MAP4K1 Q92918 1/20 0.47
▸ SGK1 O00141 2/20 0.44
▸ RET P07949 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ TNIK Q9UKE5 1/20 0.42
▸ WNT3A P56704 1/20 0.42
▸ CAMKK2 Q96RR4 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
SCHEMBL17273526 0.90 ALK (0.48) ALKSGK1MAPK1CAMKK2
SCHEMBL15562854 0.89 ALK (0.53) ALK
SCHEMBL17273498 0.89 ALK (0.52) ALKIL2MAP4K1SGK1MAPK1
SCHEMBL17273513 0.88 ALK (0.49) ALKIL2MAP4K1RETMAPK1
SCHEMBL17273343 0.88 ALK (0.49) ALKSGK1MAPK1
SCHEMBL17273325 0.88 ALK (0.53) ALKIL2MAP4K1MAPK1WNT3A
SCHEMBL15555576 0.87 ALK (0.46) ALKIL2MAP4K1SGK1RET
SCHEMBL17273439 0.86 ALK (0.49) ALKIL2MAP4K1RETMAPK1
SCHEMBL17273395 0.86 ALK (0.48) ALKSGK1MAPK1TNIK
SCHEMBL17273338 0.86 ALK (0.52) ALKIL2MAP4K1MAPK1

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 408/4885IL2 3532/4885MAP4K1 27/4885

“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.

Send feedback