SCHEMBL2925977

SCHEMBL2925977

COc1cc(C(=O)N2CC[C@H](N)C2)ccc1Nc1cncc(-c2cc3ccccc3[nH]2)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.53
LRRK2 Q5S007 4/20 0.44
TTK P33981 10/20 0.43
ROCK2 O75116 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
MNAT1 P51948 1/20 0.41
BRD4 O60885 2/20 0.40
BRDT Q58F21 1/20 0.40
PDE4B Q07343 1/20 0.40
TAF1 P21675 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
SCHEMBL2927501 1.00 KDR (0.53) KDRLRRK2TTKROCK2CCNA2
Hydrochloric Acid SCHEMBL2934145 0.99 KDR (0.52) KDRLRRK2TTKROCK2CCNA2
Hydrochloric Acid SCHEMBL2934447 0.99 KDR (0.52) KDRLRRK2TTKROCK2CCNA2
SCHEMBL2933015 0.90 KDR (0.45) KDRLRRK2TTKROCK2CCNA2
Hydrochloric Acid SCHEMBL2930596 0.90 KDR (0.45) KDRLRRK2TTKROCK2CCNA2
SCHEMBL2927055 0.89 LRRK2 (0.46) KDRLRRK2TTKCCNA2CDK2
SCHEMBL14294231 0.89 LRRK2 (0.49) LRRK2TTK
SCHEMBL2930788 0.87 KDR (0.50) KDRLRRK2TTKCCNA2CDK2
SCHEMBL2934905 0.87 TTK (0.46) LRRK2TTKCCNA2CDK2
SCHEMBL2930665 0.87 LRRK2 (0.53) LRRK2

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 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
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 3834/4885LRRK2 309/4885TTK 266/4885

“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.