SCHEMBL3665841

SCHEMBL3665841

COc1cccc(-c2cncc(-c3cc(NCc4ccccc4)nc(-c4ccccn4)c3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 11/20 0.55
CYP1A2 P05177 9/20 0.55
CYP3A4 P08684 9/20 0.55
CYP2D6 P10635 9/20 0.55
TSHR P16473 9/20 0.55
CYP2C19 P33261 9/20 0.55
MAPK1 P28482 7/20 0.55
ALDH1A1 P00352 5/20 0.55
LMNA P02545 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
TP53 P04637 3/20 0.55
ALOX15 P16050 3/20 0.55
HSD17B10 Q99714 5/20 0.53
HIF1A Q16665 4/20 0.53
CYP2C9 P11712 4/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
BACE1 P56817 1/20 0.48

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
SCHEMBL3666036 0.92 HIF1A (0.47) CLK4CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL3663465 0.89 ADORA3 (0.47) CLK4CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL3668750 0.89 CYP1A2 (0.51) CLK4CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL3664970 0.88 HDAC1 (0.43) CLK4CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL2237625 0.88 CLK4 (0.59) CLK4CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL3664054 0.85 GPR39 (0.46) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3666866 0.83 ADORA3 (0.45) CLK4LMNAMEN1KMT2AHIF1A
SCHEMBL4175691 0.82 CYP1A2 (0.46) CLK4CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL3662804 0.81 CYP3A4 (0.58) CLK4CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL3666895 0.81 NPC1 (0.47) CLK4LMNAMEN1KMT2AMAPT

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.