SCHEMBL6034744

SCHEMBL6034744

Nc1ncc(Br)cc1C(=O)Nc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.63
PRKCI P41743 3/20 0.58
CYP11B2 P19099 3/20 0.57
CYP11B1 P15538 2/20 0.57
LRRK2 Q5S007 4/20 0.56
KMT2A Q03164 4/20 0.55
POLB P06746 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
CCNE2 O96020 1/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
GSK3B P49841 1/20 0.52
LMNA P02545 1/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL2637005 0.86 PRKCI (0.60) SORT1PRKCIMAPTKDM4EALDH1A1
SCHEMBL14059394 0.85 PRKCI (0.66) PRKCIALDH1A1
SCHEMBL6034144 0.83 SORT1 (0.72) SORT1CYP11B2CYP11B1LRRK2KMT2A
SCHEMBL14059938 0.83 LRRK2 (0.54) PRKCILRRK2
SCHEMBL16758466 0.81 GAA (0.51) KMT2APOLBNPC1RAB9AMAPT
SCHEMBL23247097 0.79 KMT2A (0.59) SORT1CYP11B2CYP11B1LRRK2KMT2A
SCHEMBL1646792 0.78 SORT1 (0.74) SORT1CYP11B2CYP11B1LRRK2KMT2A
SCHEMBL14059098 0.78 SORT1 (0.64) SORT1PRKCI
SCHEMBL411951 0.77 ATR (0.75) PRKCICYP11B2CYP11B1KDM4EALDH1A1
SCHEMBL15920569 0.77 SORT1 (1.00) SORT1CYP11B2CYP11B1LRRK2KMT2A

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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL SORT1 3990/4885PRKCI 790/4885CYP11B2 133/4885

“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.