SCHEMBL424860

SCHEMBL424860

NC1(Cn2nc3c(c2C(=O)O)CCc2cnc(/C=C/c4ccccc4)cc2-3)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PDPK1 O15530 1/20 0.30
CDK2 P24941 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL424861 1.00 SRD5A1 (0.33) SRD5A1SRD5A2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6791570 0.86 CDK2 (0.35) SRD5A1SRD5A2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6791564 0.86 CDK2 (0.35) SRD5A1SRD5A2KDM4EALDH1A1HPGD
SCHEMBL427831 0.82
Trifluoroacetic Acid SCHEMBL6794213 0.81 CDK2 (0.40) SRD5A1SRD5A2PDPK1CDK2
Trifluoroacetic Acid SCHEMBL6794198 0.81 CDK2 (0.40) SRD5A1SRD5A2PDPK1CDK2
SCHEMBL424862 0.78 SRD5A1 (0.33) SRD5A1SRD5A2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6793679 0.76 CDK2 (0.39) KDM4EALDH1A1HPGDPDPK1CDK2
Hydrochloric Acid SCHEMBL6793687 0.76 CDK2 (0.39) KDM4EALDH1A1HPGDPDPK1CDK2
Hydrochloric Acid SCHEMBL6798552 0.75 CDK2 (0.38) KDM4EALDH1A1HPGDPDPK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US claimed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP claimed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US claimed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO claimed
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
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 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 (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 SRD5A1 1170/4885SRD5A2 461/4885KDM4E 1966/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 SRD5A1 1170/4885SRD5A2 461/4885KDM4E 1966/4885

“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.