SCHEMBL1475293

SCHEMBL1475293

Cc1cc(Nc2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc2C)ccc1CCC#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 15/20 0.55
▸ JAK1 P23458 13/20 0.55
▸ CDK2 P24941 4/20 0.51
▸ SYK P43405 4/20 0.51
▸ CDK1 P06493 4/20 0.51
▸ KDR P35968 4/20 0.51
▸ BTK Q06187 3/20 0.51
▸ CDC7 O00311 2/20 0.51
▸ PLK4 O00444 2/20 0.51
▸ CHEK1 O14757 2/20 0.51
▸ AURKA O14965 2/20 0.51
▸ DCLK1 O15075 2/20 0.51
▸ PDPK1 O15530 2/20 0.51
▸ DAPK3 O43293 2/20 0.51
▸ JAK2 O60674 2/20 0.51
▸ ROCK2 O75116 2/20 0.51
▸ MAP4K4 O95819 2/20 0.51
▸ PAK4 O96013 2/20 0.51
▸ CHEK2 O96017 2/20 0.51
▸ ABL1 P00519 2/20 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
SCHEMBL1475212 0.92 JAK3 (0.61) JAK3JAK1CDK2SYKCDK1
SCHEMBL1474803 0.90 JAK3 (0.48) JAK3JAK1CDK2SYKCDK1
SCHEMBL13924123 0.88 CDK2 (0.54) JAK3JAK1CDK2SYKCDK1
SCHEMBL4002841 0.84 JAK3 (0.55) JAK3JAK1CDK2SYKCDK1
SCHEMBL4007751 0.82 SYK (0.59) JAK3JAK1CDK2SYKCDK1
SCHEMBL4002491 0.80 BRD4 (0.49) JAK3JAK1CDK2SYKCDK1
SCHEMBL14780626 0.77 CDK2 (0.58) JAK3JAK1CDK2SYKCDK1
SCHEMBL5023858 0.77 EGFR (0.51) JAK3JAK1CDK2SYKCDK1
SCHEMBL3997748 0.77 SYK (0.61) JAK3JAK1CDK2SYKCDK1
SCHEMBL1474888 0.76 CA2 (0.59) JAK3JAK1CDK2SYKCDK1

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 JAK3 1/4885JAK1 3/4885CDK2 236/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885CDK2 236/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885CDK2 236/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885CDK2 236/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885CDK2 986/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885CDK2 236/4885

“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.

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