SCHEMBL2930259

SCHEMBL2930259

COc1cc(Nc2cncc(-c3ccc(O)cc3)n2)c(Cl)cc1C(=O)NCCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
TSHR P16473 1/20 0.51
MAPT P10636 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALOX15 P16050 1/20 0.51
ALDH1A1 P00352 4/20 0.47
HTR4 Q13639 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDR P35968 1/20 0.45
KMT2A Q03164 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.43
HPGD P15428 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
SCHEMBL4883827 0.95 LMNA (0.51) LMNATSHRMAPTHSD17B10ALOX15
SCHEMBL2933848 0.89 HTR4 (0.53) LMNAHTR4GAA
SCHEMBL2930611 0.84 FYN (0.50) LMNAMAPTKDRPOLB
SCHEMBL2933758 0.82 KDR (0.49) LMNAALDH1A1HTR4CYP2D6KDR
SCHEMBL2933495 0.81 ADRA2A (0.52) LMNATSHRALDH1A1HTR4CYP2D6
SCHEMBL2933983 0.80 BRAF (0.48)
SCHEMBL2984323 0.79 BRAF (0.45)
SCHEMBL2932258 0.79 KDM4E (0.52) TSHRMAPTHSD17B10ALDH1A1CYP2C9
SCHEMBL2933849 0.78 BRAF (0.56)
SCHEMBL2927734 0.78 LRRK2 (0.44)

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 LMNA 1149/4885TSHR 2982/4885MAPT 1652/4885

“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.