SCHEMBL7506714

SCHEMBL7506714

C=CC(=O)Nc1cccc(Cc2nn(C(C)C)c3ncnc(N)c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 13/20 1.00
▸ JAK2 O60674 5/20 0.60
▸ JAK3 P52333 5/20 0.60
▸ JAK1 P23458 1/20 0.60
▸ BTK Q06187 1/20 0.52
▸ ABL1 P00519 1/20 0.50
▸ HCK P08631 1/20 0.50

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
SCHEMBL14975007 0.89 SRC (0.80) SRCJAK2JAK3JAK1ABL1
SCHEMBL14982739 0.87 SRC (0.77) SRCABL1HCK
SCHEMBL7515173 0.86 SRC (0.76) SRCBTKABL1HCK
SCHEMBL16572731 0.85 SRC (0.75) SRCABL1HCK
SCHEMBL12120704 0.85 SRC (0.75) SRCABL1HCK
SCHEMBL7509503 0.84 SRC (1.00) SRCABL1HCK
SCHEMBL12120464 0.83 SRC (0.71) SRCABL1HCK
SCHEMBL1320636 0.82 SRC (0.70) SRCABL1
SCHEMBL7520883 0.82 SRC (1.00) SRCABL1HCK
SCHEMBL12068730 0.82 SRC (1.00) SRCABL1HCK

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-9353116-B2 Methods and compositions for kinase inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 — — US disclosed
US-9353116-B2 Methods and compositions for kinase inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 — — US disclosed
US-9353116-B2 Methods and compositions for kinase inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 — — US disclosed
US-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 — — US disclosed
US-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 — — US disclosed
US-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 — — US disclosed
WO-2011153553-A2 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 — — WO disclosed
WO-2011153553-A2 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 — — 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-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION SRC, ABL1, LCK SRC 1/4885JAK2 94/4885JAK3 129/4885

“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.

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