SCHEMBL84472

SCHEMBL84472

CC(=O)N1CCC(Nc2nccc(C(C)C)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.44
JAK2 O60674 2/20 0.44
EGFR P00533 1/20 0.44
MAPK3 P27361 2/20 0.44
MAPK1 P28482 3/20 0.43
CYP3A4 P08684 2/20 0.43
IDH1 O75874 1/20 0.43
MAPK8 P45983 4/20 0.42
MAPK9 P45984 3/20 0.42
JUN P05412 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
CDK2 P24941 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CSNK1G2 P78368 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
MINK1 Q8N4C8 1/20 0.42

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
SCHEMBL91487 0.84 CYP3A4 (0.47) JAK3JAK2MAPK3MAPK1CYP3A4
SCHEMBL84453 0.79 IKBKB (0.54) JAK3JAK2MAPK3IDH1CDK2
SCHEMBL84367 0.79 CDK12 (0.46) JAK3JAK2CCNKCDK12MAPK10
SCHEMBL83995 0.77 CDK4 (0.47) IDH1CDK2GSK3B
SCHEMBL3645248 0.77 CYP11B2 (0.54) MAPK1MAPK8MAPK9JUNPRKD3
SCHEMBL3647397 0.77 CYP11B2 (0.54) MAPK1MAPK8MAPK9JUNPRKD3
SCHEMBL3647400 0.77 CYP11B2 (0.54) MAPK1MAPK8MAPK9JUNPRKD3
SCHEMBL4505228 0.77 CDK2 (0.65) MAPK8MAPK9CDK2CSNK1A1CSNK1D
SCHEMBL19287734 0.76 KDM5A (0.51) JAK3JAK2MAPK8KDM5AMAPK10
SCHEMBL84414 0.75 CDK1 (0.54) JAK3JAK2MAPK8MAPK9MAP4K4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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 (2 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS JAK3 733/4885JAK2 658/4885EGFR 197/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS JAK3 831/4885JAK2 571/4885EGFR 782/4885

“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.