SCHEMBL4485506

SCHEMBL4485506

CSc1n[c]ccc1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 2/20 0.33
GLA P06280 1/20 0.33
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
NOS2 P35228 1/20 0.32
ALDH1A1 P00352 5/20 0.31
POLB P06746 3/20 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
SCHEMBL13836000 0.74
SCHEMBL6050373 0.72 L3MBTL1 (0.54) NPSR1L3MBTL1PPARGNCOA2NCOA1
SCHEMBL2866133 0.69
SCHEMBL9099860 0.69
SCHEMBL2861685 0.69
SCHEMBL7759313 0.69
SCHEMBL4757275 0.69 KDM4E (0.42) NPSR1L3MBTL1PPARGNCOA2NCOA1
SCHEMBL20156798 0.67 KDM4E (0.40) NPSR1L3MBTL1PPARGNCOA2NCOA1
SCHEMBL1846079 0.67 TSHR (0.44) NPSR1L3MBTL1PPARGNCOA2NCOA1
SCHEMBL17316329 0.66 KDM4E (0.35) KDM4EMEN1KMT2ATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566716-B2 Imidazopyrazines as Raf inhibitor compounds ARRAY BIOPHARMA INC. (US) 2009-07-28 US claimed
EP-1902056-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-03-26 EP claimed
US-20060281751-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA, INC. 2006-12-14 US claimed
WO-2006125101-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-11-23 WO claimed
US-7566716-B2 Imidazopyrazines as Raf inhibitor compounds ARRAY BIOPHARMA INC. (US) 2009-07-28 US disclosed
EP-1902056-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-03-26 EP disclosed
US-20060281751-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA, INC. 2006-12-14 US disclosed
WO-2006125101-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-11-23 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-20060281751-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF NPSR1 4675/4885L3MBTL1 1393/4885PPARG 3432/4885

“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.