SCHEMBL67059

SCHEMBL67059

CC1CN(c2ccc([NH])cn2)CC(C)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
AOC3 Q16853 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
ADRA1A P35348 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACVR1 Q04771 1/20 0.38
MAP3K12 Q12852 1/20 0.38
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL24018507 0.81 KMT2A (0.53) KMT2AAOC3KDM4EALDH1A1RAB9A
SCHEMBL18436130 0.81 KMT2A (0.53) KMT2AAOC3KDM4EALDH1A1RAB9A
SCHEMBL10034110 0.81 KMT2A (0.53) KMT2AAOC3KDM4EALDH1A1RAB9A
SCHEMBL15743968 0.81 KMT2A (0.53) KMT2AAOC3KDM4EALDH1A1RAB9A
SCHEMBL31182223 0.81 KMT2A (0.53) KMT2AAOC3KDM4EALDH1A1RAB9A
SCHEMBL18436755 0.80 KMT2A (0.51) KMT2AAOC3KDM4EALDH1A1RAB9A
SCHEMBL20456804 0.80 KMT2A (0.51) KMT2AAOC3KDM4EALDH1A1RAB9A
SCHEMBL17803130 0.80 KMT2A (0.51) KMT2AAOC3KDM4EALDH1A1RAB9A
SCHEMBL17128421 0.80 KMT2A (0.51) KMT2AAOC3KDM4EALDH1A1RAB9A
SCHEMBL20004006 0.80 KMT2A (0.51) KMT2AAOC3KDM4EALDH1A1RAB9A

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 6 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
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO 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 KMT2A 2016/4885AOC3 3941/4885KDM4E 3041/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS KMT2A 1690/4885AOC3 3226/4885KDM4E 2526/4885

“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.