SCHEMBL1197639

SCHEMBL1197639

CN1CCN(C(=O)c2ccc(Nc3ncc(F)c(Nc4ccc(CC#N)cc4)n3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.64
CCNT1 O60563 2/20 0.64
CCNE1 P24864 2/20 0.64
CDK9 P50750 2/20 0.64
BRD4 O60885 5/20 0.61
NTRK1 P04629 2/20 0.56
CDK1 P06493 2/20 0.54
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
AURKA O14965 2/20 0.49
AURKB Q96GD4 2/20 0.49
AXL P30530 2/20 0.49
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
FLT3 P36888 1/20 0.48
BTK Q06187 1/20 0.48
SYK P43405 1/20 0.48
TBK1 Q9UHD2 1/20 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
SCHEMBL1198375 0.88 SYK (0.67) CDK2CCNT1CCNE1CDK9BRD4
SCHEMBL1198508 0.83 CCNT1 (0.71) CDK2CCNT1CCNE1CDK9BRD4
SCHEMBL4003367 0.82 BRD4 (0.49) CDK2CCNT1CCNE1CDK9BRD4
SCHEMBL1197107 0.81 AURKA (0.70) AURKAAURKBGSK3AGSK3BSYK
SCHEMBL1198364 0.81 SYK (0.67) CDK2CCNT1CCNE1CDK9BRD4
SCHEMBL1198512 0.81 SYK (0.68) CDK2NTRK1CDK1AURKAAURKB
SCHEMBL1197568 0.81 FLT3 (0.57) CDK2CCNT1CCNE1CDK9BRD4
SCHEMBL1197345 0.80 PAK1 (0.65) CDK2CCNT1CCNE1CDK9BRD4
SCHEMBL1196911 0.79 CDK2 (0.58) CDK2CCNT1CCNE1CDK9BRD4
SCHEMBL1197088 0.78 SYK (0.60) CDK2CCNT1CCNE1CDK9BRD4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834024-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2010-11-16 US claimed
US-20080260754-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2008-10-23 US claimed
US-8299087-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-10-30 US disclosed
US-20110027856-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
US-7834024-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
US-20080260754-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2008-10-23 US disclosed
WO-2008118823-A2 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 (1 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-20080260754-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK2 236/4885CCNT1 1524/4885CCNE1 2121/4885

“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.