SCHEMBL91476

SCHEMBL91476

Cc1ccnc(NC[C@@H](C)NS(C)(=O)=O)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 2/20 0.43
FASN P49327 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.37
NR3C1 P04150 2/20 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
SCHEMBL84417 0.84 ALDH1A1 (0.40) MAPK1ALDH1A1HRH4NR3C1
SCHEMBL91405 0.78 HRH4 (0.55) MAPK1NPSR1MAPTCYP2C9ALDH1A1
SCHEMBL91477 0.77 ACACB (0.51) NPSR1FASNHRH4LMNA
SCHEMBL91468 0.75 HRH4 (0.46) NPSR1MAPTCYP2C9ALDH1A1FASN
SCHEMBL91404 0.75 BRAF (0.47)
SCHEMBL91483 0.75 FASN (0.42) MAPK1NPSR1MAPTCYP2C9FASN
SCHEMBL15185730 0.75 MAPK1 (0.52) MAPK1NPSR1MAPTCYP2C9ALDH1A1
SCHEMBL17700283 0.73 NPSR1 (0.44) MAPK1NPSR1MAPTCYP2C9ALDH1A1
SCHEMBL91403 0.73 ACACB (0.40) FASN
SCHEMBL15185738 0.73 ESR1 (0.41) NPSR1MAPTCYP2C9FASNHRH4

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 MAPK1 507/4885NPSR1 4364/4885MAPT 3320/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK1 215/4885NPSR1 4625/4885MAPT 4170/4885

“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.