SCHEMBL2930299

SCHEMBL2930299

CC(C)[C@H](CO)NC(=O)c1ccc(-c2cnc(N)c(-c3ccc(O)cc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.54
CNR1 P21554 2/20 0.48
CHEK1 O14757 1/20 0.43
GABRA5 P31644 1/20 0.43
ATR Q13535 4/20 0.43
NEK2 P51955 1/20 0.43
PRKDC P78527 1/20 0.43
ATM Q13315 1/20 0.43
USP7 Q93009 1/20 0.42
ACVR1 Q04771 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL2930301 1.00 MAPK1 (0.54) MAPK1CNR1CHEK1GABRA5ATR
SCHEMBL2926014 0.87 MAPK1 (0.52) MAPK1CHEK1ATRNEK2PRKDC
SCHEMBL2933636 0.80 MKNK1 (0.52) MAPK1GABRA5ATR
SCHEMBL2931488 0.76 NEK2 (0.64) CHEK1ATRNEK2PRKDCATM
SCHEMBL6696482 0.75 PIK3CG (0.55) MAPK1CHEK1ATRNEK2PRKDC
SCHEMBL2936756 0.74 ATR (0.62) ATR
SCHEMBL2930631 0.73 ACVR2A (0.57) CHEK1ATRPRKDCATMUSP7
SCHEMBL15201514 0.72 ATR (0.58) MAPK1CHEK1ATRNEK2PRKDC
SCHEMBL2931257 0.72 ATR (0.46) CHEK1ATRNEK2USP7
SCHEMBL2934942 0.71 ALDH1A1 (0.53) MAPK1ATR

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 MAPK1 255/4885CNR1 1076/4885CHEK1 162/4885

“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.