SCHEMBL1379595

SCHEMBL1379595

COCCNc1nc(-c2ccccc2)c(C(=O)N2CCN(c3cccc(C(N)=O)c3)CC2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 6/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PARP14 Q460N5 2/20 0.41
PARP10 Q53GL7 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR7 P34969 1/20 0.41
PTGS2 P35354 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL1383651 0.87 TRPV4 (0.49) ADORA2AADORA1MAPTALDH1A1HPGD
SCHEMBL1381853 0.87 ADORA2A (0.42) ADORA2AADORA1MAPTALDH1A1HPGD
SCHEMBL1381282 0.86 ADORA1 (0.45) ADORA2AADORA1MAPTALDH1A1HPGD
SCHEMBL1379374 0.81 TSHR (0.47) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL1383839 0.80 LMNA (0.48) MAPTPARP14PARP10TSHRLMNA
SCHEMBL1382338 0.80 USP2 (0.48) MAPTALDH1A1HSD17B10PARP14PARP10
SCHEMBL5761297 0.74 ADORA1 (0.59) ADORA2AADORA1MAPTALDH1A1HSD17B10
SCHEMBL6502440 0.70 DHODH (0.68) ADORA2AADORA1RXFP1ALDH1A1HPGD
SCHEMBL1381524 0.70 POLB (0.52) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL1383740 0.69 ALDH1A1 (0.46) MAPTALDH1A1HPGDALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4805813-B2 2011-11-02 JP claimed
EP-1641765-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-04-05 EP claimed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
WO-2004108685-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-12-16 WO claimed
EP-1641765-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-04-05 EP disclosed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US disclosed
WO-2004108685-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-12-16 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC ADORA2A 450/4885ADORA1 1622/4885RXFP1 4841/4885

“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.