SCHEMBL3139682

SCHEMBL3139682

CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(N4Cc5cnc(NC)nc5N(C)C4=O)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 17/20 0.78
TNK2 Q07912 16/20 0.78
BMX P51813 1/20 0.63
ABL1 P00519 2/20 0.60
EGFR P00533 1/20 0.59
BRAF P15056 1/20 0.59
MAP3K7 O43318 1/20 0.59
MAPK14 Q16539 1/20 0.59
MAP3K20 Q9NYL2 1/20 0.59

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
SCHEMBL3134211 0.96 TNK2 (0.84) MAP4K2TNK2BMXABL1EGFR
SCHEMBL3139861 0.95 TNK2 (0.78) MAP4K2TNK2BMXABL1EGFR
SCHEMBL3139872 0.93 TNK2 (0.75) MAP4K2TNK2BMXABL1EGFR
SCHEMBL3127005 0.92 TNK2 (0.74) MAP4K2TNK2BMXABL1EGFR
SCHEMBL3132208 0.91 TNK2 (0.74) MAP4K2TNK2BMXABL1
SCHEMBL13523337 0.91 TNK2 (0.64) MAP4K2TNK2BMXABL1
SCHEMBL25735971 0.89 TNK2 (0.70) MAP4K2TNK2BMXABL1
SCHEMBL3143346 0.89 TNK2 (0.67) MAP4K2TNK2BMXABL1
SCHEMBL3137490 0.88 TNK2 (0.68) MAP4K2TNK2BMXABL1
SCHEMBL3132781 0.88 TNK2 (0.80) MAP4K2TNK2BMXABL1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP claimed
US-7371750-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs IRM LLC (BM) 2008-05-13 US claimed
JP-2007500725-A 2007-01-18 JP claimed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP claimed
US-20050222177-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-10-06 US claimed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 WO claimed
US-7642255-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-01-05 US disclosed
US-7642255-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-01-05 US disclosed
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP disclosed
US-20080221098-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-11 US disclosed
US-20080221098-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-11 US disclosed
US-7371750-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs IRM LLC (BM) 2008-05-13 US disclosed
US-7371750-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs IRM LLC (BM) 2008-05-13 US disclosed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP disclosed
US-20050222177-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-10-06 US disclosed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 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 (2 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-20050222177-A1 Compounds and compositions as protein kinase inhibitors BMX, FES, FRK MAP4K2 37/4885TNK2 203/4885BMX 1/4885
US-20080221098-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BMX, FES, FRK MAP4K2 37/4885TNK2 203/4885BMX 1/4885

“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.