SCHEMBL1474774

SCHEMBL1474774

Cn1c(N2CCOCC2)nc2cc(Nc3nc(Nc4cccc(S(N)(=O)=O)c4)ncc3F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.53
JAK1 P23458 5/20 0.53
JAK2 O60674 1/20 0.52
CDK2 P24941 4/20 0.51
CCNE1 P24864 3/20 0.51
CCNE2 O96020 2/20 0.51
CCNT1 O60563 2/20 0.51
CDK9 P50750 2/20 0.51
CDK1 P06493 2/20 0.51
CCNB2 O95067 1/20 0.51
CCNB1 P14635 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
SYK P43405 2/20 0.51
BRD4 O60885 5/20 0.51
MTOR P42345 1/20 0.49
SMG1 Q96Q15 1/20 0.49
EGFR P00533 1/20 0.48
BTK Q06187 1/20 0.48

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
SCHEMBL4000839 0.83 CDK2 (0.58) JAK3JAK1JAK2CDK2CCNE1
SCHEMBL1475134 0.81 JAK3 (0.62) JAK3JAK1JAK2CDK2CCNE1
SCHEMBL341022 0.80 JAK3 (0.81) JAK3JAK1JAK2CDK2CCNE1
SCHEMBL1475251 0.79 JAK3 (0.53) JAK3JAK1JAK2CDK2CCNE1
SCHEMBL4005818 0.79 JAK3 (0.71) JAK3JAK1JAK2CDK2CCNE1
SCHEMBL341506 0.78 JAK3 (0.82) JAK3JAK1JAK2CDK2CCNE1
SCHEMBL4148156 0.78 SYK (0.63) JAK3JAK1JAK2CDK2CDK9
SCHEMBL3999296 0.78 SYK (0.61) JAK3JAK1JAK2CDK2CCNE1
SCHEMBL339587 0.77 JAK3 (0.82) JAK3JAK1JAK2CDK2CCNE1
SCHEMBL1475609 0.76 JAK3 (0.53) JAK3JAK1JAK2CDK2CCNE1

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

“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.