SCHEMBL12640371

SCHEMBL12640371

Cc1cc(C=O)cnc1N(Cc1cncc(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.33
ADORA2A P29274 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GRM2 Q14416 1/20 0.31

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
SCHEMBL12675113 0.91 ADORA2B (0.34) ADORA2BADORA2AHDAC1HDAC8HDAC6
SCHEMBL2599997 0.85 ADORA2B (0.35) ADORA2BADORA2AHDAC1HDAC8HDAC6
SCHEMBL12640369 0.83 PIK3CA (0.35)
SCHEMBL12675114 0.83 HDAC1 (0.32) HDAC1HDAC8HDAC6
SCHEMBL12640360 0.82 HDAC8 (0.36) ADORA2BADORA2AHDAC1HDAC8HDAC6
SCHEMBL12640367 0.81 HDAC1 (0.31) HDAC1HDAC8HDAC6
SCHEMBL12640378 0.80 PPARD (0.39) HDAC1HDAC8HDAC6
SCHEMBL12640374 0.80 KMT2A (0.40)
SCHEMBL2599925 0.79 TAS2R14 (0.36)
SCHEMBL12674777 0.78 KDM4E (0.38) ADORA2BADORA2AHDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO disclosed
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 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 (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-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF ADORA2B 2912/4885ADORA2A 2539/4885HDAC1 2665/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF ADORA2B 2912/4885ADORA2A 2539/4885HDAC1 2665/4885

“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.