SCHEMBL2933495

SCHEMBL2933495

CCN(CC)CCNC(=O)c1cc(Cl)c(Nc2cncc(-c3ccc(O)cc3)n2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.52
CYP2D6 P10635 3/20 0.52
DRD3 P35462 3/20 0.52
LMNA P02545 3/20 0.52
CYP1A2 P05177 2/20 0.52
DRD2 P14416 2/20 0.52
HTR2B P41595 2/20 0.52
KCNH2 Q12809 2/20 0.52
HTR3E A5X5Y0 1/20 0.52
SLC22A1 O15245 1/20 0.52
HTR3B O95264 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MPO P05164 1/20 0.52
ADRA2C P18825 1/20 0.52
DRD4 P21917 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR3A P46098 1/20 0.52
HTR4 Q13639 1/20 0.52
HTR3D Q70Z44 1/20 0.52

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
SCHEMBL2933758 0.92 KDR (0.49) ADRA2ACYP2D6DRD3LMNACYP1A2
SCHEMBL2930611 0.89 FYN (0.50) LMNABRAFMCHR1LRRK2PIM3
SCHEMBL2932519 0.86 BRAF (0.56) BRAFMCHR1
SCHEMBL13515297 0.84 PIM3 (0.54) ADRA2ACYP2D6DRD3LMNADRD2
SCHEMBL2933933 0.84 TMEM97 (0.49) BRAFMCHR1CYP2C9PIM3
SCHEMBL2933983 0.84 BRAF (0.48) BRAFLRRK2PIM3
SCHEMBL2933848 0.84 HTR4 (0.53) LMNADRD4HTR4BRAFLRRK2
SCHEMBL2984323 0.84 BRAF (0.45) BRAFACHELRRK2PIM3
SCHEMBL13515294 0.84 KDR (0.47) LMNASLC22A1ALDH1A1ACHECYP2C9
SCHEMBL2933849 0.82 BRAF (0.56) BRAFLRRK2PIM3

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 ADRA2A 571/4885CYP2D6 3003/4885DRD3 2932/4885

“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.