SCHEMBL2934838

SCHEMBL2934838

COc1cc(Nc2cncc(-c3ccc(O)cc3)n2)ccc1C(=O)NCCCN(C)C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.56
MCHR1 Q99705 4/20 0.55
FYN P06241 2/20 0.52
KDR P35968 3/20 0.47
RAF1 P04049 1/20 0.47
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL2932519 0.88 BRAF (0.56) BRAFMCHR1
SCHEMBL2930611 0.86 FYN (0.50) BRAFMCHR1FYNKDRRAF1
SCHEMBL4896379 0.85 BRAF (0.58) BRAFMCHR1RAF1
SCHEMBL2934885 0.83 BRAF (0.54) BRAFMCHR1RAF1MAPTTP53
SCHEMBL13515278 0.83 FYN (0.59) BRAFMCHR1FYNKDRRAF1
SCHEMBL2933545 0.83 FYN (0.59) BRAFFYNKDRRAF1MAPT
SCHEMBL2927120 0.82 FYN (0.62) BRAFFYNKDR
SCHEMBL2926861 0.81 BRAF (0.69) BRAFRAF1
SCHEMBL2933758 0.80 KDR (0.49) BRAFMCHR1FYNKDRRAF1
SCHEMBL2933119 0.80 BRAF (0.54) BRAFRAF1MAPTTP53

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 6 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
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
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 BRAF 524/4885MCHR1 1686/4885FYN 521/4885

“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.