SCHEMBL1880964

SCHEMBL1880964

Cc1cc(Nc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)nc(N)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 6/20 0.65
DNMT3L Q9UJW3 5/20 0.65
DNMT3A Q9Y6K1 5/20 0.65
EHMT1 Q9H9B1 3/20 0.56
MAPT P10636 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
POLB P06746 1/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 1/20 0.52
MYC P01106 1/20 0.52
MAP2K3 P46734 1/20 0.52
EHMT2 Q96KQ7 1/20 0.52
DNMT3B Q9UBC3 1/20 0.52
ABCC1 P33527 2/20 0.51
ABCG2 Q9UNQ0 2/20 0.51
RAB9A P51151 3/20 0.50
ABCB1 P08183 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL12672276 0.91 DNMT1 (0.64) DNMT1DNMT3LDNMT3AEHMT1MAPT
SCHEMBL1886837 0.90 DNMT1 (0.80) DNMT1DNMT3LDNMT3AEHMT1MAPT
SCHEMBL1887399 0.90 DNMT1 (0.80) DNMT1DNMT3LDNMT3AEHMT1MAPT
Hydrochloric Acid SCHEMBL1886545 0.90 DNMT1 (0.62) DNMT1DNMT3LDNMT3AEHMT1MAPT
SCHEMBL1890995 0.87 DNMT1 (0.73) DNMT1DNMT3LDNMT3AEHMT1MAPT
SCHEMBL1888633 0.84 DNMT1 (0.62) DNMT1DNMT3LDNMT3AEHMT1MAPT
SCHEMBL1886243 0.84 DNMT1 (0.62) DNMT1DNMT3LDNMT3AEHMT1MAPT
SCHEMBL3068523 0.82 ABCC1 (0.68) DNMT1DNMT3LDNMT3AMAPTKMT2A
SCHEMBL3061369 0.81 ABCC1 (0.64) DNMT1DNMT3LDNMT3AMAPTMEN1
SCHEMBL3709576 0.80 KMT2A (0.54) DNMT1DNMT3LDNMT3AEHMT1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2011-10-20 US disclosed
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
EP-2205586-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SuperGen, Inc. (US) 2010-07-14 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 1/4885DNMT3L 3/4885DNMT3A 2/4885
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L DNMT1 1/4885DNMT3L 3/4885DNMT3A 2/4885
US-20090285772-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L DNMT1 1/4885DNMT3L 3/4885DNMT3A 2/4885
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L DNMT1 1/4885DNMT3L 3/4885DNMT3A 2/4885
US-20100129320-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L DNMT1 1/4885DNMT3L 3/4885DNMT3A 2/4885

“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.