SCHEMBL1606970

SCHEMBL1606970

C#CCNS(=O)(=O)c1cccc(Nc2nc(Nc3cc(OC)c(OC)c(OC)c3)ncc2F)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.60
EGFR P00533 4/20 0.59
ITK Q08881 2/20 0.59
GAK O14976 1/20 0.50
ADORA3 P0DMS8 1/20 0.47
TYRO3 Q06418 1/20 0.47
PTK2 Q05397 2/20 0.47
AURKA O14965 2/20 0.46
BTK Q06187 2/20 0.46
CCNT1 O60563 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
CCNH P51946 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
SCHEMBL1607362 0.91 SYK (0.51) SYKEGFRITKGAKAURKA
SCHEMBL1474139 0.86 JAK3 (0.57) SYKEGFRITKTYRO3PTK2
Ammonia Solution, Strong SCHEMBL1880722 0.85 PTK2 (0.49) SYKEGFRITKGAKPTK2
SCHEMBL1474887 0.83 SYK (0.56) SYKEGFRITKTYRO3PTK2
SCHEMBL1474777 0.83 AURKA (0.56) SYKEGFRITKTYRO3PTK2
SCHEMBL12726303 0.82 EGFR (0.65) SYKEGFRITKADORA3TYRO3
SCHEMBL1036316 0.82 EGFR (0.62) SYKEGFRITKGAKADORA3
SCHEMBL1606300 0.81 SYK (0.49) SYKEGFRITKTYRO3AURKA
Hydrochloric Acid SCHEMBL1037848 0.81 EGFR (0.64) SYKEGFRITKADORA3TYRO3
SCHEMBL1476189 0.81 JAK3 (0.57) SYKEGFRITKTYRO3PTK2

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 SYK 62/4885EGFR 529/4885ITK 637/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 SYK 130/4885EGFR 1733/4885ITK 315/4885

“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.