SCHEMBL1607912

SCHEMBL1607912

CN1CCC(c2ccc(Nc3ncc(Cl)c(Nc4ccc(CNS(=O)(=O)N(C)C)cc4)n3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AXL P30530 8/20 0.53
BRD4 O60885 6/20 0.53
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53
STAT6 P42226 1/20 0.52
NEK2 P51955 1/20 0.49
ALK Q9UM73 1/20 0.47
EGFR P00533 1/20 0.47
KCNH2 Q12809 1/20 0.46
CCNK O75909 1/20 0.46
CCND3 P30281 1/20 0.46
CDK9 P50750 1/20 0.46
CDK6 Q00534 1/20 0.46
FLT4 P35916 1/20 0.45
KDR P35968 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
SCHEMBL1607941 0.90 BRD4 (0.60) AXLBRD4STAT6
SCHEMBL1607119 0.89 BRD4 (0.57) AXLBRD4AURKAAURKBSTAT6
SCHEMBL1607483 0.89 BRD4 (0.53) AXLBRD4AURKAAURKBSTAT6
SCHEMBL1607913 0.88 AXL (0.58) AXLBRD4AURKAAURKBSTAT6
SCHEMBL1606483 0.87 ALK (0.64) AXLBRD4AURKAAURKBNEK2
SCHEMBL1606774 0.81 BRD4 (0.63) BRD4STAT6ALK
SCHEMBL2474254 0.80 NTRK1 (0.56) AXLAURKAAURKBCDK9KDR
SCHEMBL1607066 0.79 ALK (0.51) AXLBRD4AURKAAURKBNEK2
SCHEMBL1607943 0.79 BRD4 (0.57) AXLBRD4AURKAAURKBSTAT6
SCHEMBL1607933 0.79 BRD4 (0.61) AXLBRD4STAT6

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 AXL 1118/4885BRD4 538/4885AURKA 751/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 AXL 1478/4885BRD4 2500/4885AURKA 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.