SCHEMBL6701588

SCHEMBL6701588

Oc1ccc(-c2cnc(NCc3ccccc3)c(-c3ccc(O)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.47
BCHE P06276 1/20 0.47
MTOR P42345 1/20 0.46
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
HIF1A Q16665 2/20 0.44
AXL P30530 1/20 0.44
FLT3 P36888 1/20 0.44
MERTK Q12866 1/20 0.44
STAT6 P42226 1/20 0.43
RPS6KA3 P51812 1/20 0.42
WNT3A P56704 1/20 0.42
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CSNK1D P48730 1/20 0.41
ATR Q13535 2/20 0.41
ATM Q13315 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL6704272 0.83 ACP1 (0.54) EGFRHIF1AKMT2AALDH1A1MEN1
SCHEMBL12838447 0.80 DEGS1 (0.52) BCHEMTORWNT3AKMT2AATR
SCHEMBL3731334 0.79 EGFR (0.51) EGFRBCHEMTORLDHALDHB
SCHEMBL12839406 0.79 DEGS1 (0.51) MTORWNT3AKMT2AATRATM
SCHEMBL12839412 0.77 HCAR2 (0.52) MTORKMT2AATRATMMAPT
SCHEMBL12839024 0.77 HCAR2 (0.52) MTORKMT2AATRATMMAPT
SCHEMBL4155222 0.76 TPH1 (0.59) EGFRBCHEMTORHPGDKMT2A
SCHEMBL2504627 0.76 KMT2A (0.53) WNT3AKMT2AATRATMMEN1
SCHEMBL12838453 0.76 TRPV1 (0.55) MTORKMT2AALDH1A1ATRATM
SCHEMBL12839014 0.75 TRPV1 (0.54) MTORKMT2AALDH1A1ATRATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034225-A1 Aryl-substituted n, n-heterocyclic compounds, method for their preparationand their use in therapeutics and diagnostics UNIVERSITY CATHOLIQUE DE LOUVAIN (BE) 2004-02-19 US claimed
EP-1292580-A1 PYRAZINE AND IMIDAZOPYRAZINE DERIVATIVES AS ANTIOXIDANTS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2003-03-19 EP claimed
WO-2001087853-A1 ARYL-SUBSTITUTED N,N-HETEROCYCLIC COMPOUNDS, METHOD FOR THEIR PREPARATION AND THEIR USE IN THERAPEUTICS AND DIAGNOSTICS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2001-11-22 WO claimed
US-20040034225-A1 Aryl-substituted n, n-heterocyclic compounds, method for their preparationand their use in therapeutics and diagnostics UNIVERSITY CATHOLIQUE DE LOUVAIN (BE) 2004-02-19 US disclosed
EP-1292580-A1 PYRAZINE AND IMIDAZOPYRAZINE DERIVATIVES AS ANTIOXIDANTS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2003-03-19 EP disclosed
WO-2001087853-A1 ARYL-SUBSTITUTED N,N-HETEROCYCLIC COMPOUNDS, METHOD FOR THEIR PREPARATION AND THEIR USE IN THERAPEUTICS AND DIAGNOSTICS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2001-11-22 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 (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-20040034225-A1 Aryl-substituted n, n-heterocyclic compounds, method for their preparationand their use in therapeutics and diagnostics NOX5, NOX4, CD22 EGFR 1829/4885BCHE 3887/4885MTOR 3564/4885

“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.