SCHEMBL66548

SCHEMBL66548

COc1cc(-c2coc(-c3ccc(F)cc3)n2)cnc1N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.50
TNIK Q9UKE5 1/20 0.45
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
TDO2 P48775 2/20 0.40
MAP3K11 Q16584 1/20 0.40
IDO1 P14902 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
ALK Q9UM73 2/20 0.39
PIK3CA P42336 1/20 0.39
MMP13 P45452 1/20 0.38
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38

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
SCHEMBL68078 0.76 FYN (0.48) FYNTNIKPDGFRBPDGFRATDO2
SCHEMBL67455 0.76 CDC25A (0.55) FYNTNIKKDM4EABCB1
SCHEMBL67400 0.74 MAPK14 (0.54) FYNTNIKPDGFRBPDGFRA
SCHEMBL1002137 0.72 KDM5B (0.41) ENPP3ENPP1KDM4EMMP13
SCHEMBL1002220 0.71 HDAC1 (0.43) ENPP3ENPP1MMP13
SCHEMBL7945448 0.70 MMP13 (0.42) ENPP3ENPP1MMP13
SCHEMBL1001407 0.70 HDAC1 (0.42) ENPP3ENPP1KDM4EMMP13
SCHEMBL2121662 0.70 FYN (0.45) FYNTNIKPDGFRBPDGFRAMAP3K11
SCHEMBL15802660 0.69 KDM4E (0.42) ENPP3ENPP1KDM4EMMP13
SCHEMBL1002193 0.69 KDM5B (0.41) ENPP3ENPP1KDM4EMMP13

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 6 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
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO 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 628/4885TNIK 204/4885PDGFRB 2417/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS FYN 520/4885TNIK 348/4885PDGFRB 2106/4885

“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.