SCHEMBL2226481

SCHEMBL2226481

CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(N)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.68
MAPK1 P28482 1/20 0.68
ATM Q13315 1/20 0.68
NR2C2 P49116 2/20 0.66
HCK P08631 1/20 0.66
KIT P10721 2/20 0.65
CLK1 P49759 1/20 0.64
EGFR P00533 1/20 0.61
BRAF P15056 1/20 0.61
MAP3K7 O43318 2/20 0.61
MAP4K2 Q12851 2/20 0.61
MAPK14 Q16539 2/20 0.61
BTK Q06187 1/20 0.61
DDR1 Q08345 1/20 0.61
MAP3K20 Q9NYL2 1/20 0.61
FES P07332 1/20 0.61
FER P16591 1/20 0.61

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
SCHEMBL3389535 0.96 HTT (0.71) HTTMAPK1ATMNR2C2HCK
SCHEMBL3561769 0.92 KIT (0.76) KITEGFRBRAF
SCHEMBL4250568 0.90 KIT (0.61) HTTMAPK1ATMKITEGFR
SCHEMBL4249619 0.90 KIT (0.63) HTTMAPK1ATMNR2C2HCK
SCHEMBL4254623 0.89 HTT (0.64) HTTMAPK1ATMNR2C2HCK
SCHEMBL4254627 0.89 KIT (0.79) KITEGFRBRAF
SCHEMBL30309801 0.87 KIT (0.69) HTTMAPK1ATMNR2C2HCK
SCHEMBL26680109 0.87 KIT (0.69) HTTMAPK1ATMNR2C2HCK
SCHEMBL4260023 0.87 HTT (0.66) HTTMAPK1ATMNR2C2HCK
SCHEMBL16236899 0.86 KIT (0.86) HTTMAPK1ATMNR2C2HCK

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US claimed
US-11826365-B2 Type II raf kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-28 US disclosed
US-11826365-B2 Type II raf kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-28 US disclosed
US-20200297721-A1 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-24 US disclosed
US-20200297721-A1 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-24 US disclosed
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-24 US disclosed
US-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-05 US disclosed
EP-2937345-B1 TYPE II RAF KINASE INHIBITORS DANA FARBER CANCER INST INC (US) 2018-03-21 EP disclosed
US-9908872-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed
US-20160311807-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-27 US disclosed
US-20150157629-A1 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-06-11 US disclosed
US-20150157629-A1 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-06-11 US disclosed
EP-2519517-B1 TYPE II RAF KINASE INHIBITORS DANA FARBER CANCER INST INC (US) 2015-03-25 EP disclosed
EP-2519517-B1 TYPE II RAF KINASE INHIBITORS DANA FARBER CANCER INST INC (US) 2015-03-25 EP disclosed
US-20130040949-A1 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-02-14 US disclosed
US-20130040949-A1 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-02-14 US disclosed
US-20130040949-A1 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-02-14 US disclosed
EP-2519517-A2 TYPE II RAF KINASE INHIBITORS Dana-Farber Cancer Institute, Inc. (US) 2012-11-07 EP disclosed
WO-2011090738-A2 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-07-28 WO disclosed
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 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 (8 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-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 HTT 4679/4885MAPK1 132/4885ATM 80/4885
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ABL1, BCR, PDGFRB HTT 1435/4885MAPK1 235/4885ATM 698/4885
US-11826365-B2 Type II raf kinase inhibitors BRAF, RAF1, ARAF HTT 3884/4885MAPK1 90/4885ATM 677/4885
US-20160311807-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 HTT 4679/4885MAPK1 132/4885ATM 80/4885
US-20150157629-A1 TYPE II RAF KINASE INHIBITORS BRAF, RAF1, ARAF HTT 3884/4885MAPK1 90/4885ATM 677/4885
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 HTT 4679/4885MAPK1 132/4885ATM 80/4885
US-20200297721-A1 TYPE II RAF KINASE INHIBITORS BRAF, RAF1, ARAF HTT 3884/4885MAPK1 90/4885ATM 677/4885
US-20130040949-A1 TYPE II RAF KINASE INHIBITORS BRAF, RAF1, ARAF HTT 3884/4885MAPK1 90/4885ATM 677/4885

“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.