SCHEMBL68423

SCHEMBL68423

COc1cc(-c2nc(C3(O)CCN(C)CC3)[nH]c2-c2ccncc2)cnc1N

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
EGFR P00533 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK11 Q15759 1/20 0.36
PDPK1 O15530 1/20 0.36
MAP3K11 Q16584 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35

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
SCHEMBL6600321 0.76 MAPK11 (0.60) EGFRMAPK9MAPK11
SCHEMBL68513 0.76 KDM4E (0.45) MAPK11PDGFRBPDGFRA
SCHEMBL91596 0.74 ROCK2 (0.38) FYNROCK2ROCK1MAPK11MAP3K11
SCHEMBL67844 0.74 BRAF (0.53) MAPK11PDGFRBPDGFRA
SCHEMBL67843 0.73 MAPK14 (0.41) MAPK11PDGFRBPDGFRA
SCHEMBL67449 0.73 MAPK14 (0.61) MAPK9MAPK11
SCHEMBL67138 0.72 PDGFRB (0.44) MAPK11PDGFRBPDGFRA
SCHEMBL69079 0.72 PDGFRB (0.45) MAPK11PDGFRBPDGFRA
SCHEMBL68123 0.72 RAF1 (0.55) MAPK9MAPK11MAP3K11PDGFRBPDGFRA
SCHEMBL67192 0.71 MAPK11 (0.64) ROCK1EGFRMAPK9MAPK11

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 12 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-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-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-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
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 628/4885ROCK2 1157/4885ROCK1 1354/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS FYN 520/4885ROCK2 637/4885ROCK1 692/4885

“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.