SCHEMBL84443

SCHEMBL84443

CC(C)c1ccnc(NC[C@@H](C)O)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK10 P53779 8/20 0.42
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CDK1 P06493 2/20 0.38
CDK2 P24941 2/20 0.38
BRAF P15056 1/20 0.38
FLT3 P36888 1/20 0.38
CDK9 P50750 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
SCHEMBL84439 0.86 HRH4 (0.54) HRH4
SCHEMBL91468 0.81 HRH4 (0.46) HRH4KDM4EALDH1A1SMN1; SMN2MAPK10
SCHEMBL84026 0.81 ACACB (0.40) HRH4ALDH1A1MKNK1
SCHEMBL84065 0.80 MAPK9 (0.48) HRH4KDM4EALDH1A1MAPK10MKNK1
SCHEMBL84101 0.79 ACACB (0.50) HRH4
SCHEMBL15185770 0.79 HRH4 (0.43) HRH4KDM4EALDH1A1SMN1; SMN2MAPK10
SCHEMBL84398 0.78 ACACB (0.42) HRH4KDM4EALDH1A1MAPK10
SCHEMBL13484501 0.78 NUDT1 (0.45) HRH4KDM4EMAPK10CDK1CDK2
SCHEMBL84098 0.77 BRAF (0.46) BRAF
SCHEMBL84608 0.77 ACACB (0.39) HRH4BRAF

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-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 HRH4 2437/4885KDM4E 3041/4885ALDH1A1 3257/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS HRH4 3096/4885KDM4E 2526/4885ALDH1A1 2358/4885

“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.