SCHEMBL4160263

SCHEMBL4160263

CN(CCO)C(C)(C)c1cccc(-c2c[c]cnc2)c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
TRPV1 Q8NER1 6/20 0.33
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4155265 0.85 KIF11 (0.31) KIF11
SCHEMBL4172134 0.77 KIF11 (0.35) KIF11ALDH1A1L3MBTL1
SCHEMBL3667316 0.76 PDCD1 (0.39)
SCHEMBL3805973 0.75 KIF11 (0.41) KIF11KCNH2ALDH1A1L3MBTL1
SCHEMBL4151005 0.71 PRMT6 (0.37)
SCHEMBL3666218 0.69 PRKCI (0.56)
SCHEMBL3667382 0.69 HTR7 (0.43) ALDH1A1
SCHEMBL3721866 0.67 HSD17B1 (0.50)
SCHEMBL3670575 0.67 LTA4H (0.38)
SCHEMBL4156735 0.67 PIK3CD (0.40) KIF11KCNH2ALDH1A1

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-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed

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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 KIF11 4342/4885TRPV1 655/4885KCNH2 818/4885

“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.