SCHEMBL431561

SCHEMBL431561

NC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(-c4cccc(C(=O)NCc5ccccc5)c4)cc2-3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
FES P07332 1/20 0.42
RET P07949 1/20 0.42
ROS1 P08922 1/20 0.42
FER P16591 1/20 0.42
FLT1 P17948 1/20 0.42
AXL P30530 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
MAPK9 P45984 1/20 0.42
IRAK1 P51617 1/20 0.42
LIMK1 P53667 1/20 0.42
MAP4K2 Q12851 1/20 0.42
ROCK1 Q13464 1/20 0.42
ERBB4 Q15303 1/20 0.42

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
SCHEMBL428609 0.89 MAPKAPK2 (0.42) AXLMAPKAPK2
SCHEMBL430919 0.83 MAPKAPK2 (0.53) MAPKAPK2HPGDS
SCHEMBL429263 0.83 MAPKAPK2 (0.38) MAPKAPK2NPC1RAB9A
SCHEMBL430061 0.82 MAPKAPK2 (0.44) JAK2MAP4K4CHEK2PRKCGCDK1
SCHEMBL424602 0.82 MAPKAPK2 (0.41) MAPKAPK2KDM1A
SCHEMBL431381 0.82 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL427644 0.81 MAPKAPK2 (0.44) JAK2MAP4K4CHEK2PRKCGCDK1
SCHEMBL431415 0.81 MAPKAPK2 (0.46) CHEK2MAPKAPK2
SCHEMBL428388 0.80 MAPKAPK2 (0.41) JAK2MAP4K4CHEK2PRKCGCDK1
SCHEMBL3751643 0.79 MAPKAPK2 (0.40) MAPKAPK2

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 JAK2 333/4885MAP4K4 899/4885CHEK2 934/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 JAK2 333/4885MAP4K4 899/4885CHEK2 934/4885

“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.