SCHEMBL1607455

SCHEMBL1607455

Cc1cc(Nc2ncc(Cl)c(Nc3ccc(CNS(N)(=O)=O)cc3)n2)ccc1N1CCN(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.58
TNK2 Q07912 1/20 0.57
ALK Q9UM73 1/20 0.52
EGFR P00533 1/20 0.52
CCNK O75909 2/20 0.51
CCND3 P30281 2/20 0.51
CDK9 P50750 2/20 0.51
CDK6 Q00534 2/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51

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
SCHEMBL1607117 0.89 BRD4 (0.60) BRD4TNK2ALKEGFR
SCHEMBL1607209 0.89 ALK (0.67) BRD4TNK2ALKEGFRCCNK
SCHEMBL1606720 0.84 JAK3 (0.58) BRD4TNK2ALKEGFR
SCHEMBL1606946 0.83 BRD4 (0.54) BRD4TNK2EGFRCCNKCCND3
SCHEMBL1606866 0.82 EGFR (0.59) BRD4TNK2EGFRCCNKCCND3
SCHEMBL1606449 0.82 TNK2 (0.56) BRD4TNK2EGFRCCNKCCND3
SCHEMBL1607424 0.81 BRD4 (0.60) BRD4TNK2
SCHEMBL1607129 0.80 BRD4 (0.47) BRD4TNK2ALKEGFRCCNK
SCHEMBL1606578 0.79 NTRK1 (0.44) BRD4ALK
SCHEMBL1606411 0.79 ALK (0.66) BRD4TNK2ALKCCNKCCND3

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 538/4885TNK2 539/4885ALK 557/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2500/4885TNK2 1180/4885ALK 707/4885

“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.