SCHEMBL1915201

SCHEMBL1915201

COc1cc(OC)cc(-c2cc(N)n(C)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1B1 Q16678 5/20 0.48
CYP1A1 P04798 4/20 0.48
MAPT P10636 3/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP4B1 P13584 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP3A5 P20815 1/20 0.42
CYP2A7 P20853 1/20 0.42
CYP3A7 P24462 1/20 0.42
CYP2F1 P24903 1/20 0.42
CYP2C18 P33260 1/20 0.42

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
SCHEMBL13174125 0.90 MEN1 (0.44) MEN1KMT2ACYP1B1CYP1A1MAPT
SCHEMBL15729859 0.84 NPC1 (0.57) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL13975280 0.83 KLK3 (0.55) KMT2AMAPTCYP3A4ALDH1A1HPGD
SCHEMBL28233679 0.79 MAPT (0.56) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL15813696 0.73 SMN1; SMN2 (0.41) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL31510906 0.72 KMT2A (0.52) MEN1KMT2ACYP1B1CYP1A1CYP1A2
SCHEMBL25409385 0.71 KLK3 (0.57) CYP2A6KLK3
SCHEMBL2684806 0.71 LOX (0.42) MAPTKLK3
SCHEMBL13596557 0.71 CYP19A1 (0.50) MEN1KMT2A
SCHEMBL167998 0.71 SMN1; SMN2 (0.56) MEN1KMT2AMAPTGAAALDH1A1

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-8742106-B2 Disubstituted heteroaryl-fused pyridines NOVARTIS AG (CH) 2014-06-03 US disclosed
US-8742106-B2 Disubstituted heteroaryl-fused pyridines NOVARTIS AG (CH) 2014-06-03 US disclosed
US-8742106-B2 Disubstituted heteroaryl-fused pyridines NOVARTIS AG (CH) 2014-06-03 US disclosed
EP-2516437-B1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2014-01-29 EP disclosed
EP-2516437-B1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2014-01-29 EP disclosed
EP-2516437-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES Novartis AG (CH) 2012-10-31 EP disclosed
CN-102762560-A Disubstituted heteroaryl-fused pyridines NOVARTIS AG 2012-10-31 CN disclosed
US-20120258973-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2012-10-11 US disclosed
US-20120258973-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2012-10-11 US disclosed
US-20120258973-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2012-10-11 US disclosed
WO-2011076744-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2011-06-30 WO disclosed
WO-2011076744-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2011-06-30 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-20120258973-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES CYP4F2, CYP11B2, CYP4F3 MEN1 657/4885KMT2A 2606/4885CYP1B1 210/4885

“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.