SCHEMBL3690683

SCHEMBL3690683

Cc1cc(C)c(B2OC(C)(C)C(C)(C)O2)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LPL P06858 4/20 0.32
LIPG Q9Y5X9 4/20 0.32
P2RX7 Q99572 1/20 0.32
TERT O14746 1/20 0.31
CASP1 P29466 1/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
CA12 O43570 1/20 0.30
CA3 P07451 1/20 0.30

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
SCHEMBL20661095 0.92 CYP3A4 (0.43) CYP3A4TSHRMAPK1ALDH1A1TDP1
SCHEMBL26622502 0.86 MAPK1 (0.38) MAPK1LPLLIPGP2RX7CA1
SCHEMBL29356764 0.84 LPL (0.35) MAPK1ALDH1A1LPLLIPG
SCHEMBL4419687 0.84 LPL (0.35) MAPK1ALDH1A1LPLLIPG
SCHEMBL24457822 0.84 CYP3A4 (0.35) CYP3A4TSHRMAPK1ALDH1A1TDP1
SCHEMBL25421480 0.84 GAA (0.37) CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL30935317 0.84 CYP3A4 (0.35) CYP3A4TSHRMAPK1ALDH1A1TDP1
SCHEMBL13785154 0.84 MAPK1 (0.37) MAPK1LPLLIPGP2RX7CA1
SCHEMBL12374406 0.83 MAPK1 (0.39) MAPK1LPLLIPGP2RX7CA1
SCHEMBL5504723 0.80 CD44 (0.39) CYP3A4TSHRMAPK1ALDH1A1TDP1

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
US-9187474-B2 Raf inhibitor compounds DECIPHERA PHARMACEUTICALS, LLC (US) 2015-11-17 US disclosed
US-20150105367-A1 RAF INHIBITOR COMPOUNDS DECIPHERA PHARMACEUTICALS, LLC 2015-04-16 US disclosed
US-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2010-12-09 US disclosed
EP-2188255-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS AstraZeneca AB (SE) 2010-05-26 EP disclosed
WO-2009027746-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2009-03-05 WO 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 (2 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-20150105367-A1 RAF INHIBITOR COMPOUNDS BRAF, RAF1, NRAS CYP3A4 3946/4885TSHR 2346/4885MAPK1 17/4885
US-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS SHH, GLI1, HRH4 CYP3A4 3564/4885TSHR 2043/4885MAPK1 1425/4885

“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.