SCHEMBL1475626

SCHEMBL1475626

C#CCOc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 0.57
CDK2 P24941 5/20 0.57
KDR P35968 5/20 0.57
AURKA O14965 4/20 0.57
ITK Q08881 4/20 0.57
EGFR P00533 4/20 0.57
PLK4 O00444 3/20 0.57
PDPK1 O15530 3/20 0.57
DAPK3 O43293 3/20 0.57
JAK2 O60674 3/20 0.57
MAP4K4 O95819 3/20 0.57
PAK4 O96013 3/20 0.57
CHEK2 O96017 3/20 0.57
ERBB2 P04626 3/20 0.57
NTRK1 P04629 3/20 0.57
PRKCG P05129 3/20 0.57
INSR P06213 3/20 0.57
LCK P06239 3/20 0.57
FYN P06241 3/20 0.57
LYN P07948 3/20 0.57

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
SCHEMBL1606869 1.00 CDK1 (0.57) CDK1CDK2KDRAURKAITK
SCHEMBL5059058 0.91 CDK1 (0.51) CDK1CDK2KDRAURKAITK
SCHEMBL1474672 0.89 JAK3 (0.60) CDK1CDK2KDRAURKAITK
SCHEMBL1607189 0.89 JAK3 (0.60) CDK1CDK2KDRAURKAITK
SCHEMBL1275642 0.88 SYK (0.72) CDK1CDK2KDRAURKAITK
SCHEMBL1473572 0.87 CDK1 (0.61) CDK1CDK2KDRAURKAITK
SCHEMBL1474309 0.87 CDK1 (0.61) CDK1CDK2KDRAURKAITK
SCHEMBL1474409 0.86 STK17A (0.57) CDK1CDK2KDRAURKAITK
SCHEMBL1476605 0.86 PTK2 (0.64) CDK1CDK2KDRAURKAITK
SCHEMBL1474741 0.86 PTK2 (0.64) CDK1CDK2KDRAURKAITK

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593082-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-03-14 US claimed
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-09-11 US claimed
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2007-08-30 US claimed
US-11667611-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2023-06-06 US disclosed
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-05-04 US disclosed
US-9593082-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-03-14 US disclosed
US-7915273-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-09-11 US disclosed
WO-2008079907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2007-08-30 US 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 (6 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-11667611-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CDK1 155/4885CDK2 236/4885KDR 2349/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK1 155/4885CDK2 236/4885KDR 2349/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK1 155/4885CDK2 236/4885KDR 2349/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK1 155/4885CDK2 236/4885KDR 2349/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 CDK1 537/4885CDK2 986/4885KDR 3470/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK1 155/4885CDK2 236/4885KDR 2349/4885

“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.