SCHEMBL423640

SCHEMBL423640

Cn1c(CC2(N)CNC2)c(C(=O)O)c2c1-c1cc(-c3cccc(N4CCOCC4)c3)ncc1CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 6/20 0.38
CDK2 P24941 6/20 0.38
CDK4 P11802 3/20 0.38
CCND3 P30281 3/20 0.38
CDK6 Q00534 3/20 0.38
ATR Q13535 1/20 0.38
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36
PDE7A Q13946 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE10A Q9Y233 1/20 0.35
JMJD6 Q6NYC1 1/20 0.35
MAPKAPK2 P49137 4/20 0.34
POLQ O75417 1/20 0.34
METAP2 P50579 1/20 0.34
KMO O15229 1/20 0.34
TLR9 Q9NR96 1/20 0.34
F10 P00742 1/20 0.33
CCNA1 P78396 3/20 0.33
AURKA O14965 2/20 0.33

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
SCHEMBL431130 0.86 MAPKAPK2 (0.44) MAPKAPK2KMO
SCHEMBL426985 0.84 MAPKAPK2 (0.36) ATRKDM1AMAPKAPK2
SCHEMBL426978 0.84 MAPKAPK2 (0.40) CCNA2CDK2MAPKAPK2KMOCCNA1
SCHEMBL430408 0.83 KDM4E (0.36) MAPKAPK2
SCHEMBL429121 0.82 MAPKAPK2 (0.39) CCNA2CDK2MAPKAPK2CCNA1AURKA
SCHEMBL431103 0.81 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL427952 0.81 METAP2 (0.36) KDM1AHDAC1MAPKAPK2POLQMETAP2
SCHEMBL425976 0.81 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL430274 0.81 CNR2 (0.36) MAPKAPK2METAP2
SCHEMBL426775 0.80 MAPKAPK2 (0.44) CCNA2CDK2MAPKAPK2CCNA1AURKA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US 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 (2 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-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 CCNA2 23/4885CDK2 32/4885CDK4 420/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 CCNA2 23/4885CDK2 32/4885CDK4 420/4885

“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.