SCHEMBL68110

SCHEMBL68110

COc1cc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2ccoc2)cnc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK14 Q16539 8/20 0.44
MAPK13 O15264 6/20 0.44
MAPK12 P53778 6/20 0.44
MAPK11 Q15759 6/20 0.44
GCGR P47871 5/20 0.44
ALOX5 P09917 2/20 0.44
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
FRK P42685 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 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
SCHEMBL69109 0.84 MAPK14 (0.46) FYNMAPTKDM4EMEN1ALDH1A1
SCHEMBL13693260 0.83 MAPK14 (0.50) FYNMAPTKDM4EMEN1ALDH1A1
SCHEMBL69591 0.83 MAPK14 (0.51) FYNMAPTKDM4EMEN1ALDH1A1
SCHEMBL67192 0.82 MAPK11 (0.64) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL67121 0.82 MAPK14 (0.56) FYNMAPTKDM4EMEN1ALDH1A1
SCHEMBL67132 0.80 FYN (0.44) FYNMAPTKDM4EMEN1ALDH1A1
SCHEMBL67437 0.80 MAPK14 (0.53) FYNMAPTKDM4EMEN1ALDH1A1
SCHEMBL69061 0.80 MAPK14 (0.49) FYNMAPK14MAPK13MAPK12MAPK11
SCHEMBL68938 0.80 MAPK13 (0.44) FYNMAPTKDM4EMEN1ALDH1A1
SCHEMBL69575 0.79 MAPK14 (0.48) FYNMAPTKDM4EMEN1ALDH1A1

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 8 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-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-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 FYN 628/4885MAPT 3320/4885KDM4E 3041/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS FYN 520/4885MAPT 4170/4885KDM4E 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.