SCHEMBL2930773

SCHEMBL2930773

Fc1ccc2[nH]c(-c3cncc(Cl)n3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 5/20 0.49
CDK5R1 Q15078 5/20 0.49
ATP4A P20648 1/20 0.46
ATP4B P51164 1/20 0.46
MAPT P10636 1/20 0.46
CYP1A1 P04798 2/20 0.44
TRPA1 O75762 2/20 0.42
CYP11B2 P19099 2/20 0.40
CYP11B1 P15538 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PDPK1 O15530 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL13515273 0.88 CDK5 (0.49) CDK5CDK5R1ATP4AATP4BCYP11B2
SCHEMBL2933463 0.80 RAB9A (0.51) CDK5CDK5R1ATP4AATP4BMAPT
SCHEMBL28704770 0.76 ATP4A (0.46) CDK5CDK5R1ATP4AATP4BMAPT
SCHEMBL1606684 0.75 CYP1A1 (0.54) CDK5CDK5R1ATP4AATP4BMAPT
SCHEMBL16339463 0.74 CYP11B2 (0.42) CDK5CDK5R1MAPTCYP11B2CYP11B1
SCHEMBL2934323 0.73 CDK5 (0.49) CDK5CDK5R1MAPTDAOITK
SCHEMBL6486161 0.72 TRPA1 (0.48) ATP4AATP4BMAPTCYP1A1TRPA1
SCHEMBL15941920 0.72 MAPT (0.44) ATP4AATP4BMAPTCYP1A1TRPA1
SCHEMBL2932799 0.72 CYP1A1 (0.57) CDK5CDK5R1ATP4AATP4BMAPT
SCHEMBL17674059 0.71 MAPT (0.54) CDK5CDK5R1ATP4AATP4BMAPT

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 5 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
CN-101472912-A Pyridine and pyrazine derivatives as MNK kinase inhibitors BIOVITRUM AB PUBL (SE) 2009-07-01 CN disclosed
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP 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 CDK5 240/4885CDK5R1 205/4885ATP4A 1843/4885

“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.