SCHEMBL1093673

SCHEMBL1093673

Clc1ccc(-n2nc3ccccc3c2NC2CCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.53
ADORA1 P30542 1/20 0.47
TP53 P04637 1/20 0.44
ESR2 Q92731 1/20 0.43
ADORA2A P29274 3/20 0.42
GABRA1 P14867 1/20 0.41
GABRA2 P47869 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL1093851 0.96 ADORA3 (0.57) ADORA3ADORA1TP53ESR2ADORA2A
SCHEMBL1093235 0.89 ADORA3 (0.45) ADORA3ADORA1TP53ESR2GABRA1
SCHEMBL1093154 0.85 ADORA3 (0.55) ADORA3ADORA1TP53ADORA2AL3MBTL1
SCHEMBL1093380 0.79 TP53 (0.42) ADORA3ADORA1TP53ADORA2ASMN1; SMN2
SCHEMBL2170815 0.79 EPHX1 (0.53) ADORA3HTTSMN1; SMN2LMNANPC1
SCHEMBL1093355 0.78 ADORA3 (0.44) ADORA3ADORA1TP53ADORA2ASMN1; SMN2
SCHEMBL1093581 0.75 NPY5R (0.47) ADORA3TP53ESR2ADORA2AHTT
SCHEMBL1092446 0.72 APP (0.48) ADORA3ESR2ADORA2AL3MBTL1SMN1; SMN2
SCHEMBL1093283 0.72 CNR1 (0.44) ADORA3ADORA1HTTKDM4EGAA
SCHEMBL1094058 0.72 ESR2 (0.75) ADORA3ESR2ADORA2AGABRA1GABRA2

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
EP-2346834-B1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8153663-B2 3-amino-indazole or 3-amino-4,5,6,7-tetrahydro-indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-10 US disclosed
CN-102164900-A 3-amino-indazole or 3-amino-4,5,6,7-tetrahydro-indazole derivatives HOFFMANN LA ROCHE 2011-08-24 CN disclosed
EP-2346834-A1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
WO-2010034657-A1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO disclosed
US-20100076026-A1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-03-25 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 (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-20100076026-A1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES NR1H4, SLC10A2, SLC10A1 ADORA3 11/4885ADORA1 51/4885TP53 4192/4885

“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.