SCHEMBL1093355

SCHEMBL1093355

Fc1cc2nn(-c3ccc(Cl)cc3)c(NC3CCCCC3)c2cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.44
TP53 P04637 2/20 0.43
ADORA1 P30542 1/20 0.42
ADORA2A P29274 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
KMT5B Q4FZB7 1/20 0.38
KMT5C Q86Y97 1/20 0.38
ALOX5 P09917 3/20 0.38
RIPK1 Q13546 1/20 0.38
MAPT P10636 1/20 0.38
FAAH O00519 1/20 0.36
CXCR3 P49682 1/20 0.36

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
SCHEMBL1093380 0.87 TP53 (0.42) ADORA3TP53ADORA1ADORA2ASMN1; SMN2
SCHEMBL1093851 0.81 ADORA3 (0.57) ADORA3TP53ADORA1ADORA2ASMN1; SMN2
SCHEMBL1093673 0.78 ADORA3 (0.53) ADORA3TP53ADORA1ADORA2ASMN1; SMN2
SCHEMBL1712288 0.77 NR1H4 (0.39) CNR1CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL1712658 0.76 NR1H4 (0.52) CNR1CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL1712409 0.74 CHRNA7 (0.41) SMN1; SMN2CNR1CNR2CYP3A4CYP2D6
SCHEMBL1712308 0.74 NR1H4 (0.43) CNR1CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL1712381 0.73 NR1H4 (0.42) CNR1CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL1712290 0.73 ESR2 (0.44) TP53SMN1; SMN2MAPT
SCHEMBL1093069 0.71 SRC (0.43) TP53SMN1; SMN2ALOX5MAPT

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 5 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
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 11/4885TP53 4192/4885ADORA1 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.