SCHEMBL1474551

SCHEMBL1474551

Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1Nc1ccc(Cc2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.56
CCNA2 P20248 1/20 0.56
JAK3 P52333 10/20 0.56
JAK1 P23458 9/20 0.56
CDK1 P06493 3/20 0.52
KDR P35968 3/20 0.52
PTK2 Q05397 3/20 0.52
AURKA O14965 2/20 0.52
SYK P43405 2/20 0.52
GSK3B P49841 2/20 0.52
EGFR P00533 2/20 0.52
BTK Q06187 2/20 0.52
CDC7 O00311 1/20 0.52
PLK4 O00444 1/20 0.52
CHEK1 O14757 1/20 0.52
DCLK1 O15075 1/20 0.52
PDPK1 O15530 1/20 0.52
DAPK3 O43293 1/20 0.52
JAK2 O60674 1/20 0.52
ROCK2 O75116 1/20 0.52

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
SCHEMBL1476462 0.91 CDK2 (0.56) CDK2CCNA2JAK3JAK1CDK1
SCHEMBL1474141 0.90 JAK3 (0.66) CDK2CCNA2JAK3JAK1CDK1
SCHEMBL1476480 0.89 JAK3 (0.54) CDK2CCNA2JAK3JAK1CDK1
SCHEMBL4000488 0.87 AURKA (0.60) CDK2CCNA2JAK3JAK1CDK1
SCHEMBL14780626 0.84 CDK2 (0.58) CDK2CCNA2JAK3JAK1CDK1
SCHEMBL1474374 0.84 BRD4 (0.54) PTK2AURKASYKJAK2FLT3
SCHEMBL1474839 0.82 JAK3 (0.64) CDK2CCNA2JAK3JAK1CDK1
SCHEMBL4975331 0.82 CA2 (0.55) CDK2CCNA2JAK3JAK1CDK1
SCHEMBL4972834 0.82 JAK3 (0.56) CDK2CCNA2JAK3JAK1CDK1
SCHEMBL1476433 0.81 BRD4 (0.52) CDK2JAK3JAK1CDK1KDR

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 CDK2 236/4885CCNA2 1836/4885JAK3 1/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK2 236/4885CCNA2 1836/4885JAK3 1/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK2 236/4885CCNA2 1836/4885JAK3 1/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK2 236/4885CCNA2 1836/4885JAK3 1/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 CDK2 986/4885CCNA2 3787/4885JAK3 1/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK2 236/4885CCNA2 1836/4885JAK3 1/4885

“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.