SCHEMBL12975650

SCHEMBL12975650

Cc1cn(-c2cc(CC(=O)Nc3ccc(Oc4ncnc5[nH]ccc45)cc3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR2E1 Q9Y466 11/20 0.55
▸ MAPK14 Q16539 2/20 0.54
▸ BRAF P15056 1/20 0.54
▸ KDR P35968 1/20 0.54
▸ TNNI3K Q59H18 1/20 0.54
▸ PSEN1 P49768 1/20 0.53
▸ PSEN2 P49810 1/20 0.53
▸ APH1B Q8WW43 1/20 0.53
▸ NCSTN Q92542 1/20 0.53
▸ APH1A Q96BI3 1/20 0.53
▸ PSENEN Q9NZ42 1/20 0.53
▸ MAP3K7 O43318 2/20 0.49
▸ MAP4K2 Q12851 2/20 0.49
▸ CSF1R P07333 2/20 0.49
▸ MAP3K20 Q9NYL2 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ MET P08581 1/20 0.45
▸ RET P07949 1/20 0.45

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
SCHEMBL12999017 0.90 MET (0.47) NR2E1MAPK14BRAFKDRTNNI3K
SCHEMBL2843359 0.88 NR2E1 (0.55) NR2E1KDRPSEN1PSEN2APH1B
SCHEMBL2845565 0.88 KDR (0.66) NR2E1MAPK14BRAFKDRTNNI3K
SCHEMBL2847430 0.87 MAP4K2 (0.58) NR2E1MAPK14BRAFKDRTNNI3K
SCHEMBL13679856 0.87 MAPK14 (0.45) NR2E1MAPK14BRAFKDRTNNI3K
SCHEMBL2847973 0.81 KDR (0.74) MAPK14BRAFKDRTNNI3KCSF1R
SCHEMBL12999014 0.81 KDR (0.53) MAPK14BRAFKDRTNNI3KMAP3K7
SCHEMBL25403334 0.81 KDR (0.65) MAPK14BRAFKDRTNNI3KCSF1R
SCHEMBL25404330 0.76 CSF1R (0.60) MAPK14BRAFKDRTNNI3KCSF1R
SCHEMBL2840607 0.75 KDR (0.56) NR2E1MAPK14BRAFKDRTNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324062-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-12-23 — — US disclosed
WO-2007053343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-05-10 — — 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-20100324062-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS SYK, SRC, FYN NR2E1 1653/4885MAPK14 303/4885BRAF 78/4885

“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.

Send feedback