SCHEMBL1197643

SCHEMBL1197643

CN1CCN(c2ccc(Nc3ncc(F)c(Nc4ccc(OCC#N)cc4)n3)cc2C#N)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.66
EGFR P00533 2/20 0.53
PAK1 Q13153 2/20 0.51
BRD4 O60885 4/20 0.51
FLT3 P36888 2/20 0.50
BTK Q06187 1/20 0.50
ITK Q08881 1/20 0.48
AURKA O14965 1/20 0.47
PKMYT1 Q99640 1/20 0.46
JAK2 O60674 1/20 0.46
CCNT1 O60563 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46

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
SCHEMBL1197860 0.87 SYK (0.59) SYKEGFRPAK1BRD4FLT3
SCHEMBL1198229 0.86 SYK (0.58) SYKEGFRPAK1BRD4FLT3
SCHEMBL1198208 0.82 BCL6 (0.67) PAK1BRD4PKMYT1
SCHEMBL1197648 0.80 BTK (0.56) SYKEGFRPAK1BRD4FLT3
SCHEMBL4003274 0.80 SYK (0.67) SYKPAK1BRD4FLT3BTK
SCHEMBL1198375 0.80 SYK (0.67) SYKEGFRBRD4BTKITK
SCHEMBL1198366 0.80 PAK1 (0.57) SYKPAK1FLT3BTKCCNT1
SCHEMBL4006096 0.79 SYK (0.62) SYKEGFRPAK1BRD4FLT3
SCHEMBL1197984 0.79 SYK (0.91) SYKPAK1FLT3BTKITK
SCHEMBL1474927 0.79 JAK3 (0.54) SYKEGFRPAK1BRD4FLT3

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 6 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

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 SYK 62/4885EGFR 529/4885PAK1 696/4885

“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.