SCHEMBL2933758

SCHEMBL2933758

COc1cc(Nc2cncc(-c3ccc(O)cc3)n2)c(Cl)cc1C(=O)NCCN(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
BRAF P15056 3/20 0.48
LRRK2 Q5S007 3/20 0.45
FYN P06241 2/20 0.43
PIM3 Q86V86 2/20 0.42
HTR3E A5X5Y0 1/20 0.41
SLC22A1 O15245 1/20 0.41
HTR3B O95264 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 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
SCHEMBL2930611 0.95 FYN (0.50) KDRBRAFLRRK2FYNPIM3
SCHEMBL2933495 0.92 ADRA2A (0.52) BRAFLRRK2PIM3HTR3ESLC22A1
SCHEMBL2934386 0.87 BRAF (0.48) KDRBRAFLRRK2FYNPIM3
SCHEMBL2934249 0.87 BRAF (0.45) KDRBRAFLRRK2PIM3RAF1
SCHEMBL2933890 0.86 BRAF (0.47) KDRBRAFLRRK2FYNPIM3
SCHEMBL2933983 0.85 BRAF (0.48) BRAFLRRK2PIM3RAF1
SCHEMBL2933848 0.85 HTR4 (0.53) BRAFLRRK2PIM3LMNADRD4
SCHEMBL2984323 0.85 BRAF (0.45) BRAFLRRK2PIM3RAF1DNMT3A
SCHEMBL2933849 0.84 BRAF (0.56) BRAFLRRK2PIM3RAF1
SCHEMBL14269639 0.83 PIM3 (0.55) KDRBRAFFYNPIM3RAF1

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 KDR 3834/4885BRAF 524/4885LRRK2 309/4885

“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.