SCHEMBL12749854

SCHEMBL12749854

Cc1cnc(Nc2ccccc2)nc1Nc1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.63
AURKA O14965 3/20 0.61
EGFR P00533 10/20 0.60
ITK Q08881 5/20 0.60
BTK Q06187 7/20 0.60
JAK3 P52333 4/20 0.60
CDK2 P24941 2/20 0.56
CDK4 P11802 1/20 0.56
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
BRD4 O60885 2/20 0.53
IGF1R P08069 2/20 0.52
PLK4 O00444 1/20 0.52
PDPK1 O15530 1/20 0.52
JAK2 O60674 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
NTRK1 P04629 1/20 0.52

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
SCHEMBL10187818 0.88 AURKA (0.71) SYKAURKAEGFRITKBTK
SCHEMBL13166254 0.84 AURKA (0.66) SYKAURKAEGFRITKBTK
SCHEMBL12519548 0.83 SYK (0.67) SYKAURKAEGFRITKBTK
SCHEMBL13166126 0.83 SYK (0.67) SYKAURKAEGFRITKBTK
SCHEMBL12749859 0.82 WEE1 (0.67) SYKAURKAEGFRITKBTK
SCHEMBL12749858 0.82 PDGFRB (0.69) SYKEGFRITKBTKJAK3
SCHEMBL12638657 0.82 SYK (0.65) SYKAURKAEGFRITKBTK
SCHEMBL15391256 0.82 MAPK8 (0.60) SYKAURKAEGFRITKBTK
SCHEMBL11919318 0.81 EGFR (0.61) SYKAURKAEGFRITKBTK
SCHEMBL10187807 0.81 STK17A (0.61) SYKAURKAEGFRITKBTK

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-11667611-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2023-06-06 US disclosed
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-05-04 US disclosed
US-9593082-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-03-14 US disclosed
US-7915273-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-09-11 US disclosed
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2007-08-30 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 (5 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-11667611-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 SYK 62/4885AURKA 751/4885EGFR 529/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 SYK 62/4885AURKA 751/4885EGFR 529/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 SYK 62/4885AURKA 751/4885EGFR 529/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 SYK 233/4885AURKA 3449/4885EGFR 1716/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 SYK 62/4885AURKA 751/4885EGFR 529/4885

“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.