SCHEMBL1607653

SCHEMBL1607653

Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccccc1CNS(=O)(=O)N(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.66
AXL P30530 1/20 0.60
NEK2 P51955 1/20 0.60
CCNK O75909 2/20 0.57
CCNA2 P20248 2/20 0.57
CDK2 P24941 2/20 0.57
CCND3 P30281 2/20 0.57
CDK9 P50750 2/20 0.57
CDK6 Q00534 2/20 0.57
JAK2 O60674 3/20 0.56
FLT3 P36888 2/20 0.56
JAK1 P23458 2/20 0.55
BRD2 P25440 2/20 0.55
JAK3 P52333 2/20 0.55
BRD3 Q15059 2/20 0.55
BRDT Q58F21 2/20 0.55
BUB1B O60566 1/20 0.53
RET P07949 1/20 0.53
WEE1 P30291 1/20 0.53
ALK Q9UM73 1/20 0.53

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
SCHEMBL1606568 0.92 CCNA2 (0.60) BRD4AXLNEK2CCNKCCNA2
SCHEMBL1606485 0.92 AXL (0.72) BRD4AXLNEK2CCNKCCNA2
SCHEMBL1606530 0.90 BRD4 (0.53) BRD4AXLNEK2CCNKCCNA2
SCHEMBL1606535 0.89 CCNK (0.58) BRD4AXLNEK2CCNKCCNA2
SCHEMBL1607943 0.88 BRD4 (0.57) BRD4AXLNEK2JAK2JAK3
SCHEMBL1607652 0.87 BRD4 (0.71) BRD4JAK2FLT3JAK1BRD2
SCHEMBL1606785 0.84 AXL (0.83) BRD4AXLNEK2CCNKCCNA2
SCHEMBL1607196 0.82 CCNA2 (0.62) BRD4CCNKCCNA2CDK2CCND3
SCHEMBL1607068 0.81 AXL (0.57) AXLNEK2CCNKCCNA2CDK2
SCHEMBL1605529 0.81 CCNA2 (0.66) BRD4AXLNEK2CCNKCCNA2

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-8304422-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-11-06 US claimed
US-7947698-B2 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-05-24 US claimed
US-20110082146-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US claimed
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 US claimed
WO-2008118822-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-10-02 WO claimed
US-8304422-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-7947698-B2 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20110082146-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 US disclosed
WO-2008118822-A1 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 (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-20110082146-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885AXL 1118/4885NEK2 628/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2500/4885AXL 1478/4885NEK2 2976/4885

“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.