SCHEMBL1093301

SCHEMBL1093301

COC(=O)COc1ccc(N=C=O)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.42
PDK2 Q15119 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGS2 P35354 2/20 0.41
HPGD P15428 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 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
SCHEMBL4056724 0.78 CYP3A4 (0.50) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL831694 0.77 PTGS2 (0.50) ALDH1A1MEN1KMT2APTGS2CYP2C9
SCHEMBL9530045 0.76 LMNA (0.57) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL21618362 0.76 ATF4 (0.53) SYKPDK2ALDH1A1KDM4EHSD17B10
SCHEMBL1094231 0.76 SYK (0.46) SYKPDK2ALDH1A1KDM4EHSD17B10
SCHEMBL5390755 0.75 NPC1 (0.50) SYKPDK2ALDH1A1KDM4EHSD17B10
SCHEMBL13246956 0.75 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHPGDCYP2C9
Hydrochloric Acid SCHEMBL1094227 0.74 SYK (0.45) SYKPDK2ALDH1A1KDM4EHSD17B10
SCHEMBL5391518 0.73 ALDH1A1 (0.50) SYKPDK2ALDH1A1KDM4EHSD17B10
SCHEMBL14364247 0.73 ALDH1A1 (0.47) PDK2ALDH1A1KDM4EHSD17B10MEN1

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 SYK 2376/4885PDK2 3175/4885ALDH1A1 1274/4885

“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.