SCHEMBL12435946

SCHEMBL12435946

N#Cc1cc(-c2cccnc2N)c(Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.40
MAP4K4 O95819 1/20 0.40
CYP11B2 P19099 2/20 0.39
CYP11B1 P15538 1/20 0.36
ADORA2A P29274 4/20 0.36
ADORA1 P30542 2/20 0.35
SMO Q99835 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL12464594 0.82 CHEK1 (0.40) CHEK1MAP4K4CYP11B2CYP11B1ADORA2A
SCHEMBL1560539 0.80 MAP4K4 (0.45) MAP4K4MKNK1MKNK2NPC1MAPT
SCHEMBL1560965 0.75 MAP4K4 (0.41) MAP4K4KDM4EALDH1A1MKNK1MKNK2
SCHEMBL1561044 0.73 MAP4K4 (0.40) MAP4K4NPC1MAPTRAB9A
SCHEMBL473704 0.72 ADORA2A (0.45) MAP4K4ADORA2AKDM4EALDH1A1MKNK1
SCHEMBL10062975 0.71 MAP4K4 (0.59) MAP4K4KDM4EMKNK1MKNK2MAPT
SCHEMBL13963599 0.70 DPP4 (0.51) MAP4K4ADORA2AADORA1KDM4EALDH1A1
SCHEMBL30968134 0.69 MAP4K4 (0.57) MAP4K4KDM4EMKNK1MKNK2MAPT
SCHEMBL28173312 0.68 MAP4K4 (0.48) MAP4K4POLBMKNK1MKNK2NPC1
SCHEMBL18036223 0.67 KMO (0.46) CHEK1CYP11B2KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B CHEK1 786/4885MAP4K4 3614/4885CYP11B2 416/4885

“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.