SCHEMBL11994362

SCHEMBL11994362

COCc1cc(C(C)C)ccn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 15/20 0.40
▸ GRIN1 Q05586 15/20 0.40
▸ GRIN2B Q13224 15/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34

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
SCHEMBL22063214 0.81 KDM4E (0.41) RXRAGRIN1GRIN2BALDH1A1MEN1
SCHEMBL27045873 0.81 KDM5A (0.35) RXRAGRIN1GRIN2BNOS3NOS1
SCHEMBL4569949 0.81 RXRA (0.40) RXRAGRIN1GRIN2BCHRNA7
SCHEMBL10175736 0.81 RXRA (0.40) RXRAGRIN1GRIN2BALDH1A1KMT2A
SCHEMBL4569948 0.80 RXRA (0.39) RXRAGRIN1GRIN2BALDH1A1CHRNA7
SCHEMBL11994370 0.79 CYP1A2 (0.46) RXRAGRIN1GRIN2BALDH1A1NOS3
SCHEMBL12394763 0.78 HRH4 (0.40) RXRAGRIN1GRIN2BALDH1A1NOS3
SCHEMBL29306465 0.77 RXRA (0.33) RXRAGRIN1GRIN2BNOS3NOS1
SCHEMBL3507581 0.77 TLR9 (0.38) RXRAGRIN1GRIN2BALDH1A1CHRNA7
SCHEMBL21705891 0.77 RXRA (0.35) RXRAGRIN1GRIN2BALDH1A1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 — — US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 — — US disclosed
WO-2023108108-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 — — WO disclosed
WO-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 — — WO disclosed
US-8658651-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-25 — — US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 — — US disclosed
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2012-08-23 — — US disclosed
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2012-08-23 — — US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 — — US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 — — 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 (4 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 RXRA 2732/4885GRIN1 2397/4885GRIN2B 3605/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 RXRA 3113/4885GRIN1 2028/4885GRIN2B 3212/4885
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF RXRA 2521/4885GRIN1 4585/4885GRIN2B 4586/4885
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 RXRA 2510/4885GRIN1 1862/4885GRIN2B 3804/4885

“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.

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