SCHEMBL84377

SCHEMBL84377

CC(C)c1ccnc(NCCNS(C)(=O)=O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.45
PKM P14618 2/20 0.42
HRH4 Q9H3N8 4/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MAPK8 P45983 1/20 0.36
POLB P06746 2/20 0.35
CDC7 O00311 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 1/20 0.35
FLT3 P36888 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CDK8 P49336 1/20 0.35
CLK2 P49760 1/20 0.35

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
SCHEMBL83997 0.83 CTPS1 (0.40) PKMHRH4NPY5RCHRNA7
SCHEMBL84072 0.81 PKM (0.50) PKMMAPK1ALDH1A1MAPT
SCHEMBL15185730 0.81 MAPK1 (0.52) KDM4DPKMPDCD1CD274POLB
SCHEMBL84417 0.79 ALDH1A1 (0.40) HRH4MAPK1ALDH1A1
SCHEMBL84398 0.79 ACACB (0.42) HRH4MAPK8CDC7HTR7MAPK9
SCHEMBL21918879 0.79 MAPK1 (0.46) MAPK8MAPK1MAPK10ALDH1A1CHRNA7
SCHEMBL84065 0.77 MAPK9 (0.48) HRH4CDK2FLT3CLK2CDK5
SCHEMBL12986127 0.77 CXCR4 (0.50) HRH4CDK2CDK5HTR7MAPK9
SCHEMBL84366 0.77 CYP1A2 (0.44) HRH4PDCD1CD274CLK4MAPK1
SCHEMBL14026782 0.76 ALDH1A1 (0.61) KDM4DPKMPDCD1CD274POLB

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 4 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

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 KDM4D 2502/4885PKM 1907/4885HRH4 2437/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS KDM4D 3040/4885PKM 1298/4885HRH4 3096/4885

“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.