SCHEMBL428958

SCHEMBL428958

CN1CCN(Cc2ccc(-c3cc4c(cn3)CCc3c-4[nH]c(C(N)C4CCC4)c3C(=O)O)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.38
LCK P06239 1/20 0.37
CSF1R P07333 1/20 0.37
ABL1 P00519 4/20 0.37
AXL P30530 2/20 0.37
MERTK Q12866 2/20 0.37
TNIK Q9UKE5 3/20 0.36
PARP1 P09874 1/20 0.35
MAPKAPK2 P49137 4/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
F10 P00742 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL429670 0.92 CHEK1 (0.36) PARP1MAPKAPK2F10HDAC3HDAC1
SCHEMBL428046 0.85 CHEK1 (0.38) MAPKAPK2CHEK1
SCHEMBL424678 0.83 MAPKAPK2 (0.52) MAPKAPK2CHEK1
SCHEMBL427334 0.83 MAPKAPK2 (0.38) MAPKAPK2HDAC8
SCHEMBL429719 0.82 MAPKAPK2 (0.36) CSF1RMAPKAPK2
SCHEMBL431330 0.81 MAPKAPK2 (0.45) MAPKAPK2
SCHEMBL429124 0.81 MAPKAPK2 (0.42) MAPKAPK2HDAC1CHEK1
SCHEMBL429883 0.81 ALOX5AP (0.39) AXLMERTKMAPKAPK2CHEK1
SCHEMBL427354 0.81 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL426535 0.81 MAPKAPK2 (0.37) 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 MAP3K11 557/4885LCK 1380/4885CSF1R 409/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAP3K11 557/4885LCK 1380/4885CSF1R 409/4885

“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.