SCHEMBL1197653

SCHEMBL1197653

N#CCc1ccc(Nc2nc(Nc3cccc(C(N)=O)c3)ncc2F)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.62
JAK2 O60674 2/20 0.62
AURKB Q96GD4 2/20 0.62
SYK P43405 10/20 0.61
CCNT1 O60563 3/20 0.54
CCNE1 P24864 3/20 0.54
CDK2 P24941 3/20 0.54
CDK9 P50750 3/20 0.54
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
EGFR P00533 1/20 0.51
ITK Q08881 1/20 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
SCHEMBL1197107 0.90 AURKA (0.70) AURKAJAK2AURKBSYKGSK3A
SCHEMBL1197903 0.87 SYK (0.75) AURKAJAK2AURKBSYKCCNT1
SCHEMBL1197004 0.85 SYK (0.68) SYK
SCHEMBL1197841 0.84 SYK (0.63) AURKAJAK2AURKBSYKEGFR
SCHEMBL1198274 0.84 SYK (0.65) AURKAJAK2AURKBSYKEGFR
SCHEMBL1198512 0.83 SYK (0.68) AURKAJAK2AURKBSYKCDK2
SCHEMBL1196773 0.83 SYK (0.79) AURKAJAK2AURKBSYKCDK2
SCHEMBL4001352 0.83 SYK (0.61) AURKAJAK2AURKBSYKCCNT1
SCHEMBL1197724 0.82 SYK (0.54) AURKAJAK2AURKBSYK
SCHEMBL1198308 0.82 SYK (0.60) AURKAJAK2AURKBSYKEGFR

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 8 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
WO-2008118823-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-10-02 WO 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 AURKA 751/4885JAK2 2/4885AURKB 461/4885

“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.