SCHEMBL1093380

SCHEMBL1093380

Fc1ccc2c(NC3CCCCC3)n(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
ADORA3 P0DMS8 4/20 0.41
ADORA1 P30542 1/20 0.41
KMT5B Q4FZB7 1/20 0.40
KMT5C Q86Y97 1/20 0.40
CNR1 P21554 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 1/20 0.39
ADORA2A P29274 2/20 0.39
DGAT2 Q96PD7 1/20 0.38
LMNA P02545 3/20 0.38
ALOX5 P09917 2/20 0.37
RIPK1 Q13546 1/20 0.37

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
SCHEMBL1093355 0.87 ADORA3 (0.44) TP53ADORA3ADORA1KMT5BKMT5C
SCHEMBL1093851 0.83 ADORA3 (0.57) TP53ADORA3ADORA1CNR1SMN1; SMN2
SCHEMBL1093673 0.79 ADORA3 (0.53) TP53ADORA3ADORA1CNR1SMN1; SMN2
SCHEMBL1094153 0.75 CNR1 (0.43) CNR1SMN1; SMN2CNR2DGAT2
SCHEMBL1093738 0.74 LMNA (0.47) SMN1; SMN2LMNA
SCHEMBL1093967 0.73 MAPT (0.47) TP53LMNA
SCHEMBL1093154 0.72 ADORA3 (0.55) TP53ADORA3ADORA1SMN1; SMN2ADORA2A
SCHEMBL1093721 0.71 CNR1 (0.42) CNR1SMN1; SMN2CNR2DGAT2LMNA
SCHEMBL1093235 0.71 ADORA3 (0.45) TP53ADORA3ADORA1SMN1; SMN2ALOX5
SCHEMBL2170815 0.70 EPHX1 (0.53) ADORA3CNR1SMN1; SMN2CNR2LMNA

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 TP53 4192/4885ADORA3 11/4885ADORA1 51/4885

“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.