SCHEMBL1093069

SCHEMBL1093069

Nc1c2cc(F)c(F)cc2nn1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.43
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 5/20 0.40
ATM Q13315 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MIF P14174 1/20 0.39
PTPN1 P18031 1/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
HTT P42858 2/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL1712290 0.84 ESR2 (0.44) SRCBRAFKDRMEN1KMT2A
SCHEMBL1093355 0.71 ADORA3 (0.44) MAPTSMN1; SMN2ALOX5TP53
SCHEMBL1093738 0.70 LMNA (0.47) SRCBRAFKDRMEN1KMT2A
SCHEMBL1712409 0.69 CHRNA7 (0.41) MEN1KMT2ASMN1; SMN2RAB9AATM
SCHEMBL1712288 0.69 NR1H4 (0.39)
SCHEMBL1093495 0.65 ESR2 (0.51) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL12335136 0.65 SMN1; SMN2 (0.56) SRCBRAFKDRMEN1KMT2A
SCHEMBL28474950 0.65 SMN1; SMN2 (0.52) SRCBRAFKDRMEN1KMT2A
SCHEMBL1712548 0.65 ESR2 (0.41) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL1094058 0.61 ESR2 (0.75) MAPTSMN1; SMN2NPC1RAB9ALMNA

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 SRC 2597/4885BRAF 3543/4885KDR 4193/4885

“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.