SCHEMBL2474747

SCHEMBL2474747

NS(=O)(=O)c1cccc(Nc2ncc(Cl)c(Nc3ccc(CNS(=O)(=O)NC4CC4)cc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.58
NTRK1 P04629 5/20 0.58
CDK1 P06493 6/20 0.49
CDK2 P24941 6/20 0.49
CDK5 Q00535 5/20 0.49
FLT3 P36888 3/20 0.49
CCNT1 O60563 3/20 0.49
CCNB1 P14635 3/20 0.49
CDK9 P50750 3/20 0.49
CCNE1 P24864 2/20 0.49
CDK5R1 Q15078 2/20 0.49
CCNA2 P20248 2/20 0.49
CCND3 P30281 1/20 0.49
CDK6 Q00534 1/20 0.49
CCNB2 O95067 1/20 0.49
CCNE2 O96020 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
JAK3 P52333 7/20 0.48
BTK Q06187 3/20 0.48
AURKA O14965 3/20 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
SCHEMBL2470406 0.91 NTRK1 (0.55) BRD4NTRK1CDK1CDK2CDK5
SCHEMBL2474327 0.90 JAK3 (0.60) BRD4NTRK1CDK1CDK2CDK5
SCHEMBL2474359 0.89 NTRK1 (0.56) BRD4NTRK1CDK1CDK2CDK5
SCHEMBL4975164 0.89 NTRK1 (0.59) BRD4NTRK1CDK1CDK2CDK5
Ammonia Solution, Strong SCHEMBL14052834 0.88 CDK1 (0.57) BRD4NTRK1CDK1CDK2CDK5
SCHEMBL2473777 0.87 NTRK1 (0.61) BRD4NTRK1CDK1CDK2CDK5
SCHEMBL2475717 0.84 BRD4 (0.46) BRD4NTRK1CDK2FLT3CCNA2
SCHEMBL2475718 0.84 NTRK1 (0.60) BRD4NTRK1CDK1CDK2CDK5
SCHEMBL2474071 0.83 NTRK1 (0.53) BRD4NTRK1CDK1CDK2CDK5
Ammonia Solution, Strong SCHEMBL14053306 0.83 CDK2 (0.51) BRD4NTRK1CDK1CDK2CDK5

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
EP-2370415-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2016-04-20 EP claimed
US-8268851-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-09-18 US claimed
EP-2370415-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2011-10-05 EP claimed
WO-2010075558-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-01 WO claimed
US-20100158921-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-06-24 US claimed
EP-2370415-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2016-04-20 EP disclosed
US-8420659-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-04-16 US disclosed
US-20120301486-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Riger Pharmaceuticals, Inc. 2012-11-29 US disclosed
US-8268851-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20100158921-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-06-24 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 (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-20100158921-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885NTRK1 4361/4885CDK1 155/4885
US-20120301486-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885NTRK1 4361/4885CDK1 155/4885

“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.