SCHEMBL1606785

SCHEMBL1606785

Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccccc1S(=O)(=O)N(C)C

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.83
NEK2 P51955 1/20 0.83
AURKA O14965 1/20 0.66
AURKB Q96GD4 1/20 0.66
BRD4 O60885 15/20 0.66
JAK2 O60674 3/20 0.62
FLT3 P36888 2/20 0.62
CCNK O75909 1/20 0.62
CCNA2 P20248 1/20 0.62
CDK2 P24941 1/20 0.62
CCND3 P30281 1/20 0.62
CDK9 P50750 1/20 0.62
CDK6 Q00534 1/20 0.62
JAK1 P23458 3/20 0.61
BRD2 P25440 3/20 0.61
JAK3 P52333 3/20 0.61
BRD3 Q15059 3/20 0.61
BRDT Q58F21 3/20 0.61
BUB1B O60566 1/20 0.59
RET P07949 1/20 0.59

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
SCHEMBL25549741 0.87 AXL (0.84) AXLNEK2AURKAAURKBJAK2
SCHEMBL1607653 0.84 BRD4 (0.66) AXLNEK2BRD4JAK2FLT3
SCHEMBL264403 0.83 BRD4 (0.78) BRD4JAK2FLT3JAK1BRD2
SCHEMBL30372758 0.81 AXL (0.69) AXLNEK2AURKAAURKBBRD4
SCHEMBL20500090 0.81 BRD4 (0.63) AXLNEK2BRD4JAK2FLT3
SCHEMBL25550588 0.81 AXL (0.60) AXLNEK2AURKAAURKBCDK9
SCHEMBL270128 0.81 CCNK (0.71) BRD4JAK2CCNKCCNA2CDK2
SCHEMBL30306457 0.80 BRD4 (0.77) BRD4JAK2FLT3CCNKCCNA2
Hydrochloric Acid SCHEMBL264699 0.80 CCNK (0.70) BRD4JAK2CCNKCCNA2CDK2
Dubermatinib SCHEMBL29394359 0.80 AXL (1.00) AXLNEK2AURKAAURKBJAK2

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 9 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
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 AXL 1118/4885NEK2 628/4885AURKA 751/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 AXL 1478/4885NEK2 2976/4885AURKA 3610/4885

“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.