SCHEMBL2933119

SCHEMBL2933119

COc1cc(Nc2cncc(-c3ccc(O)cc3)n2)ccc1C(=O)NCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.54
RAB9A P51151 3/20 0.47
MAPT P10636 1/20 0.47
RAF1 P04049 1/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
NPC1 O15118 2/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
PDE5A O76074 1/20 0.43

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
SCHEMBL2977474 0.83 ROCK2 (0.55) BRAFRAB9AMAPTRAF1KDM4E
SCHEMBL2973792 0.83 LMNA (0.56) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL4896379 0.82 BRAF (0.58) BRAFRAF1
SCHEMBL2926861 0.80 BRAF (0.69) BRAFRAF1
SCHEMBL2932519 0.80 BRAF (0.56) BRAF
SCHEMBL2934838 0.80 BRAF (0.56) BRAFMAPTRAF1TP53
SCHEMBL2934885 0.78 BRAF (0.54) BRAFMAPTRAF1KDM4EALDH1A1
SCHEMBL1122101 0.71 BRAF (1.00) BRAFRAF1
SCHEMBL2933177 0.68 BRAF (0.52) BRAFRAF1
SCHEMBL2933983 0.68 BRAF (0.48) BRAFRAF1

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 524/4885RAB9A 1528/4885MAPT 1652/4885

“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.