SCHEMBL2427482

SCHEMBL2427482

CC1(C)OB(c2ccnc(CF)c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.40
LIPG Q9Y5X9 12/20 0.40
F11 P03951 1/20 0.35
P2RX7 Q99572 1/20 0.34
EGFR P00533 2/20 0.34
FFAR1 O14842 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL31469519 1.00 LPL (0.40) LPLLIPGF11P2RX7EGFR
SCHEMBL31227320 0.85 LPL (0.44) LPLLIPGF11FFAR1
SCHEMBL2458829 0.85 LPL (0.44) LPLLIPGF11FFAR1
SCHEMBL15984293 0.84 LIPG (0.39) LPLLIPGF11FFAR1
SCHEMBL17304237 0.83 LPL (0.38) LPLLIPGF11
SCHEMBL16465738 0.83 LPL (0.53) LPLLIPGEGFR
SCHEMBL18113825 0.80 ESR2 (0.39) LPLLIPGF11EGFRFFAR1
SCHEMBL17667885 0.80 LPL (0.41) LPLLIPGF11P2RX7FFAR1
SCHEMBL31469555 0.78 LPL (0.38) LPLLIPGF11EGFR
SCHEMBL613614 0.78 LPL (0.47) LPLLIPGEGFRROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2022-05-05 US disclosed
US-20200131148-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2020-04-30 US disclosed
WO-2018111315-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF RORγ AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2018-06-21 WO disclosed
US-8623857-B2 N-phenyl imidazole carboxamide inhibitors of 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
EP-2366699-B1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-07 EP disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 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 (3 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-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA LPL 4100/4885LIPG 3888/4885F11 4390/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 LPL 3942/4885LIPG 3515/4885F11 4605/4885
US-20200131148-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA LPL 4100/4885LIPG 3888/4885F11 4390/4885

“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.