SCHEMBL1885367

SCHEMBL1885367

Cc1nc(N)nc(N)c1-c1ccc(N)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 7/20 0.50
HEXB P07686 7/20 0.50
DHFR P00374 5/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC22A1 O15245 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTR2A P28223 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PDE4D Q08499 1/20 0.45

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
Hydrochloric Acid SCHEMBL1889973 0.98 HEXA (0.49) HEXAHEXBDHFRMEN1KMT2A
SCHEMBL12368257 0.88 HEXA (0.64) HEXAHEXBDHFRMEN1KMT2A
SCHEMBL4526810 0.85 HEXA (0.47) HEXAHEXBDHFRMEN1KMT2A
SCHEMBL11593238 0.85 KMT2A (0.63) HEXAHEXBDHFRMEN1KMT2A
SCHEMBL12368258 0.85 HEXA (0.47) HEXAHEXBDHFRMEN1KMT2A
SCHEMBL3500167 0.84 DHFR (0.61) HEXAHEXBDHFRKMT2AALDH1A1
Hydrochloric Acid SCHEMBL4537159 0.83 HEXA (0.46) HEXAHEXBDHFRMEN1KMT2A
SCHEMBL14358933 0.82 HEXA (0.65) HEXAHEXBDHFRALDH1A1CYP2D6
SCHEMBL12368254 0.80 HEXA (0.64) HEXAHEXBDHFRALDH1A1
SCHEMBL1882625 0.78 MAP4K4 (0.57) HEXAHEXBDHFRSMN1; SMN2

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 4 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
CN-101889008-A Be used to regulate the quinoline of dna methylation SUPERGEN INC 2010-11-17 CN disclosed
CN-101535295-A Quinoline derivatives for modulating DNA methylation SUPERGEN INC (US) 2009-09-16 CN 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-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L HEXA 3990/4885HEXB 4152/4885DHFR 261/4885

“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.