SCHEMBL2933933

SCHEMBL2933933

CCN(CC)CCNC(=O)c1ccc(Nc2cncc(-c3ccc(O)cc3)n2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
BRAF P15056 5/20 0.48
PIM3 Q86V86 2/20 0.47
RAF1 P04049 1/20 0.45
FYN P06241 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MCHR1 Q99705 1/20 0.42
KDR P35968 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
TTK P33981 2/20 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
SCHEMBL13515297 0.93 PIM3 (0.54) TMEM97SIGMAR1BRAFPIM3RAF1
SCHEMBL2935119 0.91 FYN (0.51) BRAFPIM3RAF1FYNKDR
Trifluoroacetic Acid SCHEMBL2927171 0.88 PIM3 (0.51) TMEM97SIGMAR1BRAFPIM3RAF1
SCHEMBL2933545 0.88 FYN (0.59) BRAFPIM3RAF1FYNMAPT
SCHEMBL13515294 0.86 KDR (0.47) TMEM97SIGMAR1PIM3CYP3A4CYP2C9
SCHEMBL14269639 0.84 PIM3 (0.55) BRAFPIM3RAF1FYNKDR
SCHEMBL2933495 0.84 ADRA2A (0.52) BRAFPIM3CYP2C9MCHR1
SCHEMBL2928960 0.84 ALDH1A1 (0.50) BRAFFYNCYP3A4MCHR1KDR
SCHEMBL2926093 0.83 IGF1R (0.50) BRAFPIM3RAF1
SCHEMBL2932519 0.83 BRAF (0.56) BRAFMCHR1

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 TMEM97 2346/4885SIGMAR1 1647/4885BRAF 524/4885

“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.