SCHEMBL1606409

SCHEMBL1606409

Nc1cnc(Nc2ccc3c(c2)NNC3)nc1Nc1cccc(S(N)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.52
JAK1 P23458 12/20 0.52
SYK P43405 4/20 0.52
CDK1 P06493 3/20 0.51
CDK2 P24941 3/20 0.51
FLT3 P36888 3/20 0.51
CDK5 Q00535 3/20 0.51
CCNT1 O60563 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 0.51
CCNE1 P24864 1/20 0.51
CCND3 P30281 1/20 0.51
CDK9 P50750 1/20 0.51
CDK6 Q00534 1/20 0.51
CDK5R1 Q15078 1/20 0.51
BTK Q06187 4/20 0.49
EGFR P00533 3/20 0.49
NTRK1 P04629 3/20 0.47
CDC7 O00311 2/20 0.47
PLK4 O00444 2/20 0.47

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
SCHEMBL1606408 0.78 JAK3 (0.58) JAK3JAK1SYKCDK1CDK2
SCHEMBL4258546 0.76 JAK3 (0.84) JAK3JAK1SYKCDK1CDK2
SCHEMBL653844 0.74 SYK (0.57) JAK3SYKCDK1CDK2FLT3
SCHEMBL655619 0.73 SYK (0.69) SYKAURKAMAPK8AURKB
SCHEMBL658077 0.73 SYK (0.69) SYKAURKAMAPK8AURKB
SCHEMBL4005818 0.73 JAK3 (0.71) JAK3JAK1SYKCDK1CDK2
SCHEMBL12518363 0.72 JAK3 (0.67) JAK3JAK1SYKCDK1CDK2
SCHEMBL13166449 0.71 SYK (0.77) JAK3JAK1SYKCDK1CDK2
SCHEMBL13166197 0.71 JAK3 (0.71) JAK3JAK1SYKCDK1CDK2
SCHEMBL30306473 0.71 JAK3 (0.59) JAK3JAK1SYKCDK1CDK2

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-8304422-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-11-06 US claimed
US-7947698-B2 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-05-24 US claimed
US-20110082146-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US claimed
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 US claimed
WO-2008118822-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-10-02 WO claimed
US-8304422-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-7947698-B2 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20110082146-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 US disclosed
WO-2008118822-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-10-02 WO 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-20110082146-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885SYK 62/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885SYK 130/4885

“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.