SCHEMBL91474

SCHEMBL91474

COCC(=O)NC[C@@H](C)Nc1nccc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FASN P49327 1/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL84421 0.86 SMN1; SMN2 (0.37) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL91471 0.82 MAPK14 (0.39) MAPK14KDM4EMEN1KMT2AL3MBTL1
SCHEMBL91491 0.80 SYK (0.41) KDM4EMEN1KMT2ATDP1L3MBTL1
SCHEMBL13402951 0.78 KDM4E (0.58) KDM4EMEN1KMT2ATDP1L3MBTL1
SCHEMBL91482 0.78 KDM4E (0.49) KDM4EMEN1KMT2ATDP1L3MBTL1
SCHEMBL14030746 0.77 MAPK14 (0.50) MAPK14NPC1RAB9AALDH1A1NPSR1
SCHEMBL15185771 0.72 DHODH (0.45) MAPK14MEN1KMT2ATDP1L3MBTL1
SCHEMBL91404 0.70 BRAF (0.47)
SCHEMBL21549963 0.70 NPSR1 (0.40) MAPK14KMT2ANPC1RAB9AFASN
SCHEMBL84419 0.69 MAPK14 (0.34) MAPK14KMT2AL3MBTL1

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 MAPK14 484/4885KDM4E 3041/4885MEN1 1271/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885KDM4E 2526/4885MEN1 1671/4885

“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.