SCHEMBL12639121

SCHEMBL12639121

O=C(Nc1ccc(Nc2ccnc3ccccc23)cc1)c1ccccc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 10/20 0.92
DNMT3A Q9Y6K1 8/20 0.92
DNMT3L Q9UJW3 5/20 0.92
HDAC3 O15379 1/20 0.74
ACHE P22303 1/20 0.74
HDAC1 Q13547 1/20 0.74
HDAC7 Q8WUI4 1/20 0.74
HDAC2 Q92769 1/20 0.74
HDAC8 Q9BY41 1/20 0.74
HDAC6 Q9UBN7 1/20 0.74
HDAC9 Q9UKV0 1/20 0.74
HDAC5 Q9UQL6 1/20 0.74
EHMT1 Q9H9B1 3/20 0.65
MYC P01106 1/20 0.65
MAP2K3 P46734 1/20 0.65
EHMT2 Q96KQ7 1/20 0.65
DNMT3B Q9UBC3 1/20 0.65
AURKA O14965 5/20 0.65
AURKB Q96GD4 3/20 0.65
MAPK13 O15264 1/20 0.65

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
SCHEMBL13140149 0.96 DNMT1 (0.95) DNMT1DNMT3ADNMT3LHDAC3ACHE
SCHEMBL12217951 0.96 DNMT1 (0.95) DNMT1DNMT3ADNMT3LHDAC3ACHE
SCHEMBL9124370 0.90 DNMT1 (1.00) DNMT1DNMT3ADNMT3LHDAC3ACHE
Hydrochloric Acid SCHEMBL1881241 0.89 DNMT1 (0.98) DNMT1DNMT3ADNMT3LHDAC3ACHE
SCHEMBL3056598 0.86 DNMT1 (0.80) DNMT1DNMT3ADNMT3LHDAC3ACHE
SCHEMBL3056602 0.86 DNMT1 (0.80) DNMT1DNMT3ADNMT3LHDAC3ACHE
Hydrochloric Acid SCHEMBL3787660 0.86 DNMT1 (0.80) DNMT1DNMT3ADNMT3LHDAC3ACHE
SCHEMBL12218019 0.86 DNMT1 (0.80) DNMT1DNMT3ADNMT3LHDAC3ACHE
SCHEMBL25821699 0.85 DNMT1 (0.87) DNMT1DNMT3ADNMT3LHDAC3ACHE
SCHEMBL24006029 0.85 DNMT1 (0.89) DNMT1DNMT3ADNMT3LHDAC3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939546-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2011-05-10 US disclosed
US-7790746-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2010-09-07 US disclosed
US-20100129320-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2010-05-27 US disclosed
EP-2174938-A1 Quinoline derivatives for modulating DNA methylation SuperGen, Inc. (US) 2010-04-14 EP disclosed
US-20090285772-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-11-19 US disclosed
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 US disclosed
WO-2009049132-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 WO disclosed
US-20080175814-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2008-07-24 US disclosed
WO-2008046085-A2 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2008-04-17 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 (4 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-20080175814-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L DNMT1 1/4885DNMT3A 2/4885DNMT3L 3/4885
US-20090285772-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L DNMT1 1/4885DNMT3A 2/4885DNMT3L 3/4885
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L DNMT1 1/4885DNMT3A 2/4885DNMT3L 3/4885
US-20100129320-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L DNMT1 1/4885DNMT3A 2/4885DNMT3L 3/4885

“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.