SCHEMBL2933652

SCHEMBL2933652

COc1ccc(N(CCN(C)C)C(=O)C(F)(F)F)cc1Nc1cncc(-c2ccc(O)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.47
PIM3 Q86V86 2/20 0.47
RAF1 P04049 1/20 0.40
EGFR P00533 1/20 0.38
KDR P35968 2/20 0.37
PIM1 P11309 2/20 0.36
FYN P06241 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
YES1 P07947 1/20 0.35
MAPK1 P28482 1/20 0.35
HIPK1 Q86Z02 1/20 0.35

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
SCHEMBL2933030 0.95 BRAF (0.46) BRAFPIM3RAF1EGFRKDR
SCHEMBL2927174 0.92 BRAF (0.46) BRAFPIM3RAF1KDRPIM1
SCHEMBL2928817 0.88 KDR (0.38) BRAFPIM3KDRPIM1FYN
SCHEMBL2930097 0.80 BRAF (0.37) BRAFPIM3RAF1KDRPIM1
Trifluoroacetic Acid SCHEMBL2933649 0.80 PIM3 (0.52) BRAFPIM3RAF1KDRFYN
Trifluoroacetic Acid SCHEMBL2933025 0.79 FYN (0.53) BRAFPIM3RAF1KDRPIM1
SCHEMBL14269639 0.78 PIM3 (0.55) BRAFPIM3RAF1KDRFYN
SCHEMBL13515278 0.76 FYN (0.59) BRAFPIM3RAF1KDRPIM1
SCHEMBL2928592 0.74 PIM3 (0.71) BRAFPIM3RAF1
SCHEMBL2933651 0.74 PIM3 (0.52) BRAFPIM3RAF1KDRFYN

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
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 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 (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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 BRAF 524/4885PIM3 2131/4885RAF1 122/4885

“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.