SCHEMBL3717860

SCHEMBL3717860

COc1cncc(-c2cc(NCc3cccc4[nH]ccc34)nc(-c3ccccn3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
AKT1 P31749 10/20 0.38
GPR39 O43194 1/20 0.38
BACE1 P56817 1/20 0.38
NTRK1 P04629 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDPK1 O15530 2/20 0.36

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
SCHEMBL3718165 0.87 GPR39 (0.38) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3721684 0.87 GPR39 (0.38) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3721234 0.86 CYP3A4 (0.41) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2237770 0.84 CYP1A2 (0.47) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3721870 0.83 CLK4 (0.50) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3727670 0.79 MAP3K11 (0.45) L3MBTL1CDK8TYRO3
SCHEMBL2240171 0.79 CYP3A4 (0.39) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3718274 0.77 CDK4 (0.45) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3665841 0.76 CLK4 (0.55) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2240050 0.75 CYP3A4 (0.46) CLK4CYP1A2CYP3A4CYP2D6CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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 (1 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK CLK4 4234/4885CYP1A2 616/4885CYP3A4 1053/4885

“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.