SCHEMBL1298286

SCHEMBL1298286

N#Cc1cc(C(=O)c2nc(Nc3cc[nH]n3)n3cccc3n2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.32
GRM5 P41594 2/20 0.32
CSNK1D P48730 2/20 0.31
CSNK1E P49674 2/20 0.31
CNR2 P34972 2/20 0.31
GRM4 Q14833 1/20 0.31
CNR1 P21554 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
SCHEMBL1299360 0.85 PTK2 (0.33) VNN1
SCHEMBL1299008 0.84 VNN1 (0.37) VNN1GRM5
SCHEMBL1298181 0.84 CSNK1D (0.39) CSNK1DCSNK1E
SCHEMBL1298380 0.83 KMT2A (0.40) CSNK1DCSNK1E
SCHEMBL1298083 0.81 MAPK14 (0.35) GRM5CSNK1DCSNK1E
SCHEMBL12102336 0.78 JAK2 (0.40) VNN1
SCHEMBL1298924 0.75 GAK (0.35) VNN1CSNK1DCSNK1E
SCHEMBL1298642 0.74 KCNK3 (0.40)
SCHEMBL1298614 0.73 KMT2A (0.39)
SCHEMBL1298617 0.72 RXFP1 (0.38) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US claimed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO claimed
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 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 (1 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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 VNN1 3225/4885ABCG2 3103/4885GRM5 1087/4885

“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.