SCHEMBL2931732

SCHEMBL2931732

COc1cc(C(=O)N2CC(N)C2)ccc1Nc1cncc(-c2cc3cc(F)ccc3[nH]2)n1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 13/20 0.42
LRRK2 Q5S007 7/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 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
Hydrochloric Acid SCHEMBL2930397 0.99 TTK (0.42) TTKLRRK2CCNA2CDK2
SCHEMBL2933015 0.94 KDR (0.45) TTKLRRK2CCNA2CDK2
Hydrochloric Acid SCHEMBL2930596 0.93 KDR (0.45) TTKLRRK2CCNA2CDK2
SCHEMBL14269675 0.91 TTK (0.43) TTKLRRK2CCNA2CDK2
SCHEMBL2930667 0.90 TTK (0.41) TTKLRRK2CCNA2CDK2
SCHEMBL2930971 0.89 DYRK1A (0.47) TTKLRRK2CCNA2CDK2
Hydrochloric Acid SCHEMBL2936353 0.88 MKNK1 (0.49) TTKLRRK2CCNA2CDK2
SCHEMBL2931716 0.88 MKNK1 (0.42) TTKLRRK2CCNA2CDK2
SCHEMBL2927754 0.88 MKNK1 (0.42) TTKLRRK2CCNA2CDK2
SCHEMBL2934544 0.87 TTK (0.39) TTKLRRK2CCNA2CDK2

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 8 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 claimed
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP claimed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US claimed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 WO claimed
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
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 TTK 266/4885LRRK2 309/4885CCNA2 471/4885

“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.