SCHEMBL357592

SCHEMBL357592

C=CC(CI)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.38
AGXT P21549 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA7 P43166 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A4 P31645 1/20 0.36
ALDH1A1 P00352 3/20 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
SCHEMBL357591 1.00 TSHR (0.40) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL28797022 0.81 MEN1 (0.45) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL13392800 0.81 SLC1A3 (0.41) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL8419732 0.81 TSHR (0.45) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL6120141 0.81 TSHR (0.40) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL8419798 0.80 TSHR (0.39) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL11447748 0.80 CA1 (0.50) TSHRSLC1A1MEN1KMT2ACA1
SCHEMBL28886016 0.79 CA1 (0.38) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL1257812 0.77 TSHR (0.43) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL7116036 0.76 TSHR (0.46) TSHRSLC1A3SLC1A2SLC1A1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560976-B9 FUROPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2017-06-07 EP disclosed
EP-2560976-B1 FUROPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2016-08-24 EP disclosed
US-8324239-B2 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120015907-A1 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-01-19 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-20120015907-A1 Furopyridine compounds and uses thereof CYP3A5, QDPR, DPYD TSHR 3808/4885SLC1A3 2145/4885SLC1A2 1404/4885

“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.