SCHEMBL2042948

SCHEMBL2042948

FC(F)(F)c1ccn2[c]cnc2n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 16/20 0.41
GABRG2 P18507 16/20 0.41
GABRB3 P28472 16/20 0.41
GABRA3 P34903 14/20 0.41
GABRA5 P31644 4/20 0.33
KDM5B Q9UGL1 1/20 0.32
ADRB1 P08588 1/20 0.31
GABRA2 P47869 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
SCHEMBL22612495 0.67 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA3
SCHEMBL5261097 0.67 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2015143 0.66 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5261894 0.63 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5773850 0.62 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL12469686 0.61 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL3295825 0.58 MALT1 (0.47) ADRB1
SCHEMBL6021581 0.58 PRMT6 (0.38) GABRA1GABRG2GABRB3GABRA3
SCHEMBL13666788 0.57 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA3
SCHEMBL3295150 0.57 P2RX7 (0.50) GABRA1GABRG2GABRB3GABRA3ADRB1

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-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US claimed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US claimed
EP-2516438-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-10-31 EP claimed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US claimed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO claimed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
EP-2516438-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-10-31 EP disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 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 (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-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS GABRA1 464/4885GABRG2 438/4885GABRB3 977/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS GABRA1 464/4885GABRG2 438/4885GABRB3 977/4885

“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.