SCHEMBL446891

SCHEMBL446891

Cc1cnc(F)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
CXCR2 P25025 1/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
JAK2 O60674 1/20 0.31
BTK Q06187 1/20 0.31
EGFR P00533 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
P2RX7 Q99572 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
SCHEMBL14800589 0.85 CCR1 (0.32) LPLLIPGCCR1CCR5CCR8
SCHEMBL15393439 0.84 LPL (0.41) LPLLIPGCXCR2JAK2BTK
SCHEMBL15817447 0.81 EGFR (0.37) LPLLIPGCXCR2PDGFRBKDR
SCHEMBL4561680 0.81 LPL (0.35) LPLLIPGCXCR2EGFR
SCHEMBL25426051 0.80 LIPE (0.35)
SCHEMBL30510529 0.80 LIPE (0.35)
SCHEMBL3670014 0.78 ALPL (0.36) EGFR
SCHEMBL30132973 0.78 ALPL (0.36) EGFR
SCHEMBL1780770 0.78 LIPE (0.39) LPLLIPGCXCR2PDGFRBKDR
SCHEMBL29763538 0.78 LPL (0.38) LPLLIPGCXCR2EGFRP2RX7

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024217500-A1 ISOQUINOLINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2024-10-24 WO disclosed
US-10968203-B2 Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating IRE1-related diseases and disorders GENENTECH, INC. (US) 2021-04-06 US disclosed
CN-111247136-A Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating diseases and disorders associated with IRE1 吉宁特有限公司 2020-06-05 CN disclosed
US-20180265497-A1 PYRIMIDINYL-PYRIDYLOXY-NAPHTHYL COMPOUNDS AND METHODS OF TREATING IRE1-RELATED DISEASES AND DISORDERS GENENTECH, INC. (US) 2018-09-20 US disclosed
EP-2867232-B1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2018-08-08 EP disclosed
US-9505746-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2016-11-29 US disclosed
US-9434725-B2 5-azaindazole compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2016-09-06 US disclosed
EP-2867232-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2015-05-06 EP disclosed
US-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 US disclosed
US-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 US disclosed
WO-2013045461-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-04 WO disclosed
US-20130079321-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-03-28 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
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO 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
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 (5 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-10968203-B2 Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating IRE1-related diseases and disorders XBP1, ERN1, ATF4 LPL 936/4885LIPG 1127/4885CXCR2 3642/4885
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 LPL 3397/4885LIPG 4473/4885CXCR2 4194/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 LPL 3942/4885LIPG 3515/4885CXCR2 293/4885
US-20130079321-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 LPL 4822/4885LIPG 4427/4885CXCR2 2813/4885
US-20180265497-A1 PYRIMIDINYL-PYRIDYLOXY-NAPHTHYL COMPOUNDS AND METHODS OF TREATING IRE1-RELATED DISEASES AND DISORDERS XBP1, ERN1, ATF4 LPL 936/4885LIPG 1127/4885CXCR2 3642/4885

“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.