SCHEMBL91468

SCHEMBL91468

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPK10 P53779 9/20 0.42
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
FASN P49327 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL91405 0.86 HRH4 (0.55) HRH4ALDH1A1SMN1; SMN2NPSR1MAPT
SCHEMBL84443 0.81 HRH4 (0.44) HRH4KDM4EALDH1A1SMN1; SMN2MAPK10
SCHEMBL17700283 0.81 NPSR1 (0.44) HRH4ALDH1A1SMN1; SMN2NPSR1MAPT
SCHEMBL15185770 0.80 HRH4 (0.43) HRH4KDM4EALDH1A1SMN1; SMN2MAPK10
SCHEMBL91477 0.79 ACACB (0.51) HRH4NPSR1FASNLMNA
SCHEMBL17353594 0.77 ALDH1A1 (0.52) HRH4KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL91483 0.76 FASN (0.42) HRH4SMN1; SMN2NPSR1MAPTCYP2C9
SCHEMBL91404 0.76 BRAF (0.47)
SCHEMBL13218581 0.76 HRH4 (0.43) HRH4ALDH1A1SMN1; SMN2NPSR1MAPT
SCHEMBL91473 0.76 NPSR1 (0.49) ALDH1A1SMN1; SMN2NPSR1MAPTCYP2C9

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 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.