SCHEMBL1196940

SCHEMBL1196940

Cc1cnc(Nc2ccc(C(N)=O)cc2)nc1Nc1ccc2c(c1)CCC(=O)N2C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.57
INSR P06213 7/20 0.55
MET P08581 3/20 0.55
ALK Q9UM73 5/20 0.54
BRD4 O60885 9/20 0.51
JAK1 P23458 3/20 0.51
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
JAK2 O60674 2/20 0.46
RET P07949 1/20 0.46
TYK2 P29597 1/20 0.46
FLT3 P36888 1/20 0.46
JAK3 P52333 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
AURKA O14965 2/20 0.45
AURKB Q96GD4 1/20 0.45

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
SCHEMBL1198275 0.92 INSR (0.62) SYKINSRMETALKBRD4
SCHEMBL1474126 0.85 JAK3 (0.56) SYKINSRMETALKBRD4
SCHEMBL1475561 0.83 BRD4 (0.51) SYKINSRMETALKBRD4
SCHEMBL15392831 0.82 INSR (0.62) SYKINSRMETALKBRD4
SCHEMBL10241902 0.81 SYK (0.66) SYKINSRMETALKAURKB
SCHEMBL1474907 0.81 JAK3 (0.65) SYKINSRMETALKBRD4
SCHEMBL1476581 0.80 INSR (0.59) SYKINSRMETALKBRD4
SCHEMBL21271521 0.80 INSR (0.52) SYKINSRMETALKBRD4
SCHEMBL1474909 0.79 ALK (0.56) SYKINSRMETALKBRD4
SCHEMBL15391448 0.79 BRD4 (0.52) SYKINSRALKBRD4JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080260754-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2008-10-23 US claimed
WO-2008118823-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-10-02 WO claimed
US-8299087-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-10-30 US disclosed
US-20110027856-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
US-7834024-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
US-20080260754-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2008-10-23 US disclosed
WO-2008118823-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-10-02 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-20080260754-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 SYK 62/4885INSR 2315/4885MET 1615/4885

“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.