SCHEMBL2926014

SCHEMBL2926014

CC(C)NC(=O)c1ccc(-c2cnc(N)c(-c3ccc(O)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.52
ACVR1 Q04771 1/20 0.51
NEK2 P51955 1/20 0.50
AURKA O14965 1/20 0.48
MAP4K4 O95819 1/20 0.47
MINK1 Q8N4C8 1/20 0.47
TNIK Q9UKE5 1/20 0.47
CHEK1 O14757 1/20 0.47
ATR Q13535 4/20 0.47
PRKDC P78527 2/20 0.47
ATM Q13315 2/20 0.47
KCNH2 Q12809 3/20 0.46
LDHA P00338 1/20 0.45
LDHB P07195 1/20 0.45
AKR1B1 P15121 1/20 0.44
MTOR P42345 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
SCHEMBL2930299 0.87 MAPK1 (0.54) MAPK1ACVR1NEK2CHEK1ATR
SCHEMBL2930301 0.87 MAPK1 (0.54) MAPK1ACVR1NEK2CHEK1ATR
SCHEMBL2931488 0.81 NEK2 (0.64) NEK2CHEK1ATRPRKDCATM
SCHEMBL2930631 0.81 ACVR2A (0.57) ACVR1AURKACHEK1ATRPRKDC
SCHEMBL6696482 0.80 PIK3CG (0.55) MAPK1NEK2CHEK1ATRPRKDC
SCHEMBL2936756 0.79 ATR (0.62) ATR
SCHEMBL15201514 0.77 ATR (0.58) MAPK1NEK2CHEK1ATRPRKDC
SCHEMBL2934243 0.75 KCNH2 (0.63) CHEK1ATRPRKDCKCNH2
SCHEMBL15201610 0.75 ATR (0.64) MAPK1NEK2CHEK1ATRPRKDC
SCHEMBL934795 0.75 ADORA1 (0.56) ATRPRKDCATM

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 MAPK1 255/4885ACVR1 2828/4885NEK2 1/4885

“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.