SCHEMBL3666036

SCHEMBL3666036

COc1cccc(-c2cncc(-c3cc(NCc4cccc(O)c4)nc(-c4ccccn4)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.47
BACE1 P56817 1/20 0.47
CLK4 Q9HAZ1 9/20 0.46
CYP1A2 P05177 7/20 0.46
CYP3A4 P08684 7/20 0.46
CYP2D6 P10635 7/20 0.46
TSHR P16473 7/20 0.46
CYP2C19 P33261 7/20 0.46
MAPK1 P28482 5/20 0.46
TP53 P04637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 3/20 0.44
CYP2C9 P11712 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL3665841 0.92 CLK4 (0.55) HIF1ABACE1CLK4CYP1A2CYP3A4
SCHEMBL2240058 0.89 HIF1A (0.51) HIF1ABACE1CLK4CYP1A2CYP3A4
SCHEMBL3664054 0.87 GPR39 (0.46) HIF1ACLK4CYP1A2CYP3A4CYP2D6
SCHEMBL3663465 0.85 ADORA3 (0.47) HIF1ABACE1CLK4CYP1A2CYP3A4
SCHEMBL3664532 0.83 GPR39 (0.42) HIF1ACLK4GPR39
SCHEMBL3668750 0.81 CYP1A2 (0.51) HIF1ACLK4CYP1A2CYP3A4CYP2D6
SCHEMBL3664970 0.81 HDAC1 (0.43) HIF1ABACE1CLK4CYP1A2CYP3A4
SCHEMBL2237625 0.80 CLK4 (0.59) HIF1ABACE1CLK4CYP1A2CYP3A4
SCHEMBL3666866 0.80 ADORA3 (0.45) HIF1ABACE1CLK4MEN1KMT2A
SCHEMBL2240583 0.79 CYP1A2 (0.46) HIF1ABACE1CLK4CYP1A2CYP3A4

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 HIF1A 1342/4885BACE1 4384/4885CLK4 4234/4885

“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.