SCHEMBL429043

SCHEMBL429043

Cn1c(CC2(N)CNC2)c(C(=O)O)c2c1-c1nc(-c3cccc(C#N)c3)ncc1CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.35
CYP1A2 P05177 6/20 0.34
CYP3A4 P08684 5/20 0.34
CYP2D6 P10635 4/20 0.34
TSHR P16473 2/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
F11 P03951 1/20 0.33
PIN1 Q13526 1/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CLK4 Q9HAZ1 3/20 0.33
USP2 O75604 3/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL423598 0.89 MAPKAPK2 (0.36) MAPKAPK2CCNA2CDK2CDK4CCND3
SCHEMBL424681 0.89 MAPKAPK2 (0.46) MAPKAPK2CCNA2CDK2CCNA1PLK1
SCHEMBL430545 0.88 CCNA2 (0.41) MAPKAPK2HSD17B10MAPK1LMNACCNA2
SCHEMBL426985 0.86 MAPKAPK2 (0.36) MAPKAPK2CYP1A2CYP3A4GRIA2GRIA4
SCHEMBL428160 0.84 CCNA2 (0.38) MAPKAPK2CCNA2CDK2CDK4CCND3
SCHEMBL429822 0.84 MAPKAPK2 (0.38) MAPKAPK2ALDH1A1HSD17B10TP53CCNA2
SCHEMBL428910 0.83 MAPKAPK2 (0.45) MAPKAPK2ALDH1A1CCNA2CDK2CCNA1
SCHEMBL428168 0.82 MAPKAPK2 (0.40) MAPKAPK2CCNA2CDK2MEN1KMT2A
SCHEMBL431842 0.81 MAPKAPK2 (0.48) MAPKAPK2CCNA2CDK2CCNA1PLK1
SCHEMBL428386 0.75 MAPKAPK2 (0.40) MAPKAPK2TP53CCNA2CDK2CCNA1

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 MAPKAPK2 480/4885CYP1A2 262/4885CYP3A4 1891/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CYP1A2 262/4885CYP3A4 1891/4885

“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.