SCHEMBL3068922

SCHEMBL3068922

Cc1cc(Nc2ccc(N)nc2)nc(N)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.63
CYP1A2 P05177 2/20 0.63
NPC1 O15118 2/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C19 P33261 1/20 0.63
CYP2D6 P10635 1/20 0.62
MAPT P10636 2/20 0.56
ROCK2 O75116 3/20 0.55
DNMT1 P26358 2/20 0.55
DNMT3L Q9UJW3 2/20 0.55
DNMT3A Q9Y6K1 2/20 0.55
AMD1 P17707 1/20 0.47
MEN1 O00255 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
AGPAT2 O15120 2/20 0.43
MYC P01106 1/20 0.42
MAP2K3 P46734 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
SCHEMBL12218294 0.89 RAB9A (0.65) RAB9ACYP1A2NPC1CYP3A4CYP2C19
SCHEMBL13288395 0.81 POLA1 (0.63) RAB9ACYP1A2NPC1CYP3A4CYP2C19
SCHEMBL13963083 0.81 RAB9A (0.71) RAB9ACYP1A2NPC1CYP3A4CYP2C19
SCHEMBL12218261 0.80 RAB9A (0.76) RAB9ACYP1A2NPC1CYP3A4CYP2C19
SCHEMBL12218264 0.80 RAB9A (0.76) RAB9ACYP1A2NPC1CYP3A4CYP2C19
SCHEMBL1887031 0.79 DNMT1 (0.60) RAB9ACYP1A2NPC1CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL4523617 0.79 RAB9A (0.73) RAB9ACYP1A2NPC1CYP3A4CYP2C19
SCHEMBL13963078 0.78 RAB9A (0.71) RAB9ACYP1A2NPC1CYP3A4CYP2C19
SCHEMBL13963079 0.78 RAB9A (0.71) RAB9ACYP1A2NPC1CYP3A4CYP2C19
SCHEMBL3500070 0.77 CYP1A2 (1.00) RAB9ACYP1A2NPC1CYP3A4CYP2C19

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 17 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-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-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-7790746-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2010-09-07 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
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-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
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 US disclosed
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 US disclosed
US-20080175814-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2008-07-24 US 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 RAB9A 2538/4885CYP1A2 695/4885NPC1 3069/4885
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L RAB9A 2538/4885CYP1A2 695/4885NPC1 3069/4885
US-20090285772-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L RAB9A 2538/4885CYP1A2 695/4885NPC1 3069/4885
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L RAB9A 2538/4885CYP1A2 695/4885NPC1 3069/4885
US-20100129320-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L RAB9A 2538/4885CYP1A2 695/4885NPC1 3069/4885

“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.