SCHEMBL2977474

SCHEMBL2977474

COc1cc(C(=O)NCc2ccccn2)ccc1Nc1cncc(-c2ccc(O)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.55
ROCK1 Q13464 1/20 0.55
RAB9A P51151 2/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
BRAF P15056 4/20 0.47
PIM3 Q86V86 2/20 0.46
TLR9 Q9NR96 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
RAF1 P04049 1/20 0.44
NAMPT P43490 1/20 0.44
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 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
SCHEMBL2933119 0.83 BRAF (0.54) RAB9AMAPTBRAFADORA2AADORA1
SCHEMBL2973792 0.83 LMNA (0.56) RAB9AKMT2AMEN1ADORA2AADORA1
SCHEMBL2935119 0.81 FYN (0.51) BRAFPIM3RAF1BRD4
SCHEMBL2933572 0.80 PIM3 (0.63) BRAFPIM3RAF1CHEK1
SCHEMBL2933545 0.80 FYN (0.59) ROCK1MAPTBRAFPIM3TLR9
SCHEMBL2933933 0.80 TMEM97 (0.49) MAPTBRAFPIM3RAF1
SCHEMBL2926093 0.78 IGF1R (0.50) KMT2ABRAFPIM3TLR9TLR8
SCHEMBL14269639 0.74 PIM3 (0.55) BRAFPIM3TLR9TLR8TLR7
SCHEMBL2934437 0.73 TTK (0.52) BRAFPIM3RAF1BRD4
SCHEMBL13515278 0.73 FYN (0.59) ROCK1RAB9AMAPTBRAFPIM3

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 ROCK2 306/4885ROCK1 293/4885RAB9A 1528/4885

“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.