SCHEMBL1093283

SCHEMBL1093283

O=C(NC1CCCC1)N(c1c2ccccc2nn1-c1ccc(Cl)cc1)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.44
CNR2 P34972 2/20 0.44
ADORA3 P0DMS8 2/20 0.42
ADORA1 P30542 1/20 0.42
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
FAAH O00519 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
EPHX1 P07099 1/20 0.38
PDE4B Q07343 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
SCHEMBL1093936 0.99 CNR1 (0.46) CNR1CNR2ADORA3ADORA1KDM4E
SCHEMBL1093779 0.93 NR1H4 (0.43) CNR1CNR2ADORA3ADORA1KDM4E
SCHEMBL1093434 0.91 KDM4E (0.47) ADORA3ADORA1KDM4EUSP2ALDH1A1
SCHEMBL1094153 0.85 CNR1 (0.43) CNR1CNR2ALDH1A1TSHRPOLB
SCHEMBL1094213 0.84 CNR1 (0.45) CNR1CNR2ADORA3ADORA1KDM4E
SCHEMBL1093879 0.82 CNR1 (0.43) CNR1CNR2ADORA3KDM4EUSP2
SCHEMBL1093816 0.81 CNR1 (0.44) CNR1CNR2ADORA3ADORA1TSHR
SCHEMBL1094806 0.81 CHRNA7 (0.40) CNR1CNR2ADORA3ADORA1KDM4E
SCHEMBL1093343 0.81 ADORA3 (0.39) CNR1CNR2ADORA3ADORA1KDM4E
SCHEMBL1093614 0.80 CNR1 (0.42) CNR1CNR2ADORA3ADORA1KMT2A

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 9 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
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
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 CNR1 305/4885CNR2 321/4885ADORA3 11/4885

“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.