SCHEMBL3585498

SCHEMBL3585498

CNc1cc(-c2cn(CCN3CCOCC3)nc2Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.58
RAF1 P04049 11/20 0.58
LCK P06239 4/20 0.55
MAPK14 Q16539 2/20 0.55
KDR P35968 3/20 0.52
TEK Q02763 1/20 0.52
ARAF P10398 1/20 0.51
INSR P06213 2/20 0.50
LYN P07948 2/20 0.50
HCK P08631 2/20 0.50
SRC P12931 2/20 0.50
HTR2A P28223 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL3588959 0.87 LCK (0.59) BRAFRAF1LCKMAPK14KDR
SCHEMBL28784171 0.85 RAF1 (0.61) BRAFRAF1LCKMAPK14
SCHEMBL3829904 0.83 KDR (0.65) BRAFRAF1LCKMAPK14KDR
SCHEMBL3825078 0.83 LCK (0.60) BRAFRAF1LCKMAPK14KDR
SCHEMBL3824222 0.81 KDR (0.62) BRAFRAF1LCKMAPK14KDR
SCHEMBL3596597 0.81 KDR (0.66) BRAFRAF1LCKMAPK14KDR
SCHEMBL3591659 0.80 LCK (0.60) BRAFRAF1LCKMAPK14KDR
SCHEMBL9967394 0.80 MAPK14 (0.53) BRAFRAF1LCKMAPK14KDR
SCHEMBL3829573 0.79 KDR (0.68) BRAFLCKMAPK14KDRTEK
SCHEMBL9967479 0.79 LCK (0.55) BRAFRAF1LCKMAPK14KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US claimed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
CN-101522661-A Compounds and compositions as protein kinase inhibitors IRM LLC (VG) 2009-09-02 CN disclosed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 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 (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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK BRAF 11/4885RAF1 10/4885LCK 3/4885

“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.