SCHEMBL1093633

SCHEMBL1093633

COCCN(C(=O)NC1CCCCC1)c1c2ccccc2nn1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
CNR1 P21554 8/20 0.43
CNR2 P34972 4/20 0.43
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P2RX7 Q99572 1/20 0.39
GAA P10253 1/20 0.39
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NR3C1 P04150 1/20 0.39

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
SCHEMBL1093614 0.89 CNR1 (0.42) KMT2ACNR1CNR2RXFP1MEN1
SCHEMBL1093879 0.85 CNR1 (0.43) KMT2ACNR1CNR2MEN1POLB
SCHEMBL1093936 0.81 CNR1 (0.46) KMT2ACNR1CNR2MEN1POLB
SCHEMBL1094213 0.80 CNR1 (0.45) KMT2ACNR1CNR2MEN1POLB
SCHEMBL1093283 0.80 CNR1 (0.44) KMT2ACNR1CNR2MEN1POLB
SCHEMBL1093816 0.77 CNR1 (0.44) KMT2ACNR1CNR2MEN1POLB
SCHEMBL1093779 0.77 NR1H4 (0.43) KMT2ACNR1CNR2MEN1POLB
SCHEMBL1094056 0.76 PTGER4 (0.38) KMT2AMEN1ADORA3GAA
SCHEMBL1094356 0.76 UBE2M (0.39) KMT2AMEN1POLBGAA
SCHEMBL1093475 0.76 RXFP1 (0.47) KMT2ACNR1CNR2RXFP1MEN1

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 13 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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
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
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
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
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 KMT2A 4575/4885CNR1 305/4885CNR2 321/4885

“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.