SCHEMBL327717

SCHEMBL327717

Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.40
LIPG Q9Y5X9 6/20 0.40
P2RX7 Q99572 1/20 0.33
MAPK1 P28482 1/20 0.32
JAK2 O60674 1/20 0.31
BTK Q06187 1/20 0.31
CSF1R P07333 1/20 0.31
ROCK1 Q13464 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
SCHEMBL25418201 0.85 LPL (0.46) LPLLIPGP2RX7MAPK1ROCK1
SCHEMBL21296308 0.84 CSF1R (0.41) LPLLIPGCSF1R
SCHEMBL26106532 0.83 KDM4E (0.41) LPLLIPGROCK1
SCHEMBL443424 0.82 LPL (0.39) LPLLIPGP2RX7MAPK1
SCHEMBL13429482 0.82 LPL (0.39) LPLLIPGP2RX7MAPK1
SCHEMBL29276139 0.82 LPL (0.39) LPLLIPGP2RX7MAPK1
SCHEMBL10269418 0.82 LPL (0.39) LPLLIPGP2RX7MAPK1ROCK1
SCHEMBL319248 0.79 LPL (0.37) LPLLIPGP2RX7
SCHEMBL23409514 0.79 LPL (0.37) LPLLIPGP2RX7JAK2BTK
SCHEMBL2524790 0.79 TAAR1 (0.39) LPLLIPGP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661412-B2 Organic molecules for use in organic optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-30 US disclosed
EP-2900657-B1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2020-03-11 EP disclosed
EP-3119775-B1 OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2019-11-06 EP disclosed
EP-3119775-B1 OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2019-11-06 EP disclosed
EP-2861585-B1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2019-01-09 EP disclosed
US-9963446-B2 Oxepan-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-05-08 US disclosed
US-9963446-B2 Oxepan-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-05-08 US disclosed
US-9963446-B2 Oxepan-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-05-08 US disclosed
US-9931323-B2 Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-04-03 US disclosed
US-9931323-B2 Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-04-03 US disclosed
WO-2012120415-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-13 WO disclosed
WO-2012120415-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-13 WO disclosed
WO-2012120428-A1 NOVEL KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-13 WO disclosed
US-20120225062-A1 NOVEL KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 US disclosed
US-20120225062-A1 NOVEL KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 US disclosed
US-20120225062-A1 NOVEL KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 US disclosed
US-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 US disclosed
US-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 US disclosed
US-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 US disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 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-20120225062-A1 NOVEL KINASE INHIBITORS PIM1, PIM2, PIM3 LPL 3705/4885LIPG 1883/4885P2RX7 3214/4885
US-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS PIM1, PIM2, PIM3 LPL 4541/4885LIPG 3349/4885P2RX7 3753/4885
US-11661412-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, AOX1 LPL 4468/4885LIPG 2201/4885P2RX7 3569/4885

“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.