SCHEMBL1857081

SCHEMBL1857081

Cc1nc2ccc(N)cc2c(N)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.49
NQO2 P16083 2/20 0.47
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
TERT O14746 1/20 0.43
ABCB11 O95342 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
NUDT1 P36639 1/20 0.41
PLAU P00749 1/20 0.39

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
SCHEMBL27931468 0.88 KDM4E (0.46) ACHENQO2LMNAKDM4EPOLB
SCHEMBL17148204 0.76 KDM4E (0.41) ACHENQO2LMNAKDM4EPOLB
SCHEMBL28995116 0.76 KDM4E (0.46) ACHENQO2LMNAKDM4EPOLB
SCHEMBL28277232 0.75 MAP4K4 (0.50) LMNAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL30025532 0.75 ALDH1A1 (0.64) ACHENQO2LMNAKDM4EPOLB
SCHEMBL27296318 0.75 ALDH1A1 (0.64) ACHENQO2LMNAKDM4EPOLB
SCHEMBL30343134 0.74 KMT2A (0.53) ACHELMNAKDM4EPOLBCASP6
SCHEMBL1770021 0.74 KMT2A (0.53) ACHELMNAKDM4EPOLBCASP6
SCHEMBL25757979 0.73 KMT2A (0.64) ACHENQO2LMNAKDM4EPOLB
SCHEMBL30977150 0.73 LMNA (0.38) ACHENQO2LMNAKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021423-A1 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-25 US claimed
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2011-10-20 US disclosed
US-7947701-B2 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof SANOFI-AVENTIS (FR) 2011-05-24 US disclosed
US-7348340-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2008-03-25 US disclosed
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2007-06-07 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 (3 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 ACHE 3037/4885NQO2 145/4885LMNA 1408/4885
US-20070021423-A1 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof PRDX2, PRDX1, PRDX5 ACHE 3245/4885NQO2 373/4885LMNA 2822/4885
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G ACHE 140/4885NQO2 634/4885LMNA 2009/4885

“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.