SCHEMBL17708409

SCHEMBL17708409

Cc1cc(-n2nnn(C)c2=O)c(OCC(C)(C)F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL15337536 0.90 NR1I2 (0.35) NR1I2RXRAGRIN1GRIN2B
SCHEMBL17708173 0.88
SCHEMBL15786420 0.87 NR1I2 (0.31) NR1I2RXRAGRIN1GRIN2B
SCHEMBL17708407 0.82 BACE1 (0.32) NR1I2ADRA1DADRA1AADRA1BRXRA
SCHEMBL15337640 0.82 GAA (0.32) NR1I2RXRAGRIN1GRIN2B
SCHEMBL15786421 0.82 NR1I2 (0.34) NR1I2
SCHEMBL15337539 0.81 KCNN4 (0.38) NR1I2RXRAGRIN1GRIN2B
SCHEMBL15337291 0.81 P2RX7 (0.35) NR1I2RXRAGRIN1GRIN2B
SCHEMBL17708380 0.81 DHODH (0.33) NR1I2
SCHEMBL15337556 0.81 RXRA (0.33) NR1I2RXRAGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005777-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-20180030050-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2018-02-01 US disclosed
US-9682976-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-20160257681-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2016-09-08 US disclosed
US-9321763-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2016-04-26 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 (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-10005777-B2 Protein kinase C inhibitors and uses thereof PRKCH, PRKCA, PRKCB NR1I2 4347/4885ADRA1D 4456/4885ADRA1A 4331/4885
US-20160257681-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB NR1I2 4347/4885ADRA1D 4456/4885ADRA1A 4331/4885
US-20180030050-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB NR1I2 4347/4885ADRA1D 4456/4885ADRA1A 4331/4885

“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.