SCHEMBL3389535

SCHEMBL3389535

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(N)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.71
ATM Q13315 2/20 0.71
MAPK1 P28482 1/20 0.71
HCK P08631 2/20 0.69
NR2C2 P49116 2/20 0.69
KIT P10721 2/20 0.68
CLK1 P49759 1/20 0.67
BRAF P15056 2/20 0.64
EGFR P00533 1/20 0.64
MAPK14 Q16539 6/20 0.64
MAP3K7 O43318 5/20 0.64
MAP4K2 Q12851 5/20 0.64
MAP3K20 Q9NYL2 3/20 0.64
FES P07332 2/20 0.64
FER P16591 2/20 0.64
GCK P35557 1/20 0.63
KMT2A Q03164 1/20 0.62

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
SCHEMBL2226481 0.96 HTT (0.68) HTTATMMAPK1HCKNR2C2
SCHEMBL4254627 0.92 KIT (0.79) KITBRAFEGFR
SCHEMBL20568434 0.90 HTT (0.62) HTTATMMAPK1HCKNR2C2
SCHEMBL4255712 0.90 KIT (0.64) HTTATMMAPK1HCKNR2C2
SCHEMBL4256157 0.90 KIT (0.64) HTTATMMAPK1HCKNR2C2
SCHEMBL30309801 0.89 KIT (0.69) HTTATMMAPK1HCKNR2C2
SCHEMBL26680109 0.89 KIT (0.69) HTTATMMAPK1HCKNR2C2
SCHEMBL4260023 0.89 HTT (0.66) HTTATMMAPK1HCKNR2C2
SCHEMBL16236899 0.89 KIT (0.86) HTTATMMAPK1HCKNR2C2
SCHEMBL3561769 0.89 KIT (0.76) KITBRAFEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US claimed
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US claimed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US claimed
EP-1758892-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-10-17 EP disclosed
US-8183248-B2 Substituted pyrrolo[2,3-d]pyrimidines and compositions as protein kinase inhibitors IRM LLC (BM) 2012-05-22 US disclosed
US-8183248-B2 Substituted pyrrolo[2,3-d]pyrimidines and compositions as protein kinase inhibitors IRM LLC (BM) 2012-05-22 US disclosed
US-8183248-B2 Substituted pyrrolo[2,3-d]pyrimidines and compositions as protein kinase inhibitors IRM LLC (BM) 2012-05-22 US disclosed
EP-1891066-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-12-22 EP disclosed
EP-1891066-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-12-22 EP disclosed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 US disclosed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 US disclosed
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US disclosed
US-20090118273-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2009-05-07 US disclosed
US-20090118273-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2009-05-07 US disclosed
US-20090118273-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2009-05-07 US disclosed
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US disclosed
EP-1891066-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-02-27 EP disclosed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 US disclosed
WO-2006124462-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2006-11-23 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 (4 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-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ABL1, BCR, PDGFRB HTT 1435/4885ATM 698/4885MAPK1 235/4885
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors AURKC, PTK2B, FRK HTT 3023/4885ATM 485/4885MAPK1 497/4885
US-20090118273-A1 Compounds and Compositions as Protein Kinase Inhibitors SRC, FYN, SYK HTT 3710/4885ATM 483/4885MAPK1 213/4885
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, PTK2B, SRC HTT 2165/4885ATM 848/4885MAPK1 171/4885

“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.