SCHEMBL431374

SCHEMBL431374

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(-c3ccc(N4CCOCC4)cc3)cc1-2)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.38
ATR Q13535 1/20 0.36
XDH P47989 1/20 0.36
JAK2 O60674 6/20 0.35
TBK1 Q9UHD2 1/20 0.35
HDAC1 Q13547 3/20 0.35
KDM1A O60341 1/20 0.35
MAPK1 P28482 1/20 0.35
JAK3 P52333 5/20 0.35
JAK1 P23458 2/20 0.35
HDAC3 O15379 1/20 0.35
NCOR1 O75376 1/20 0.35
TYK2 P29597 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34

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
SCHEMBL426540 0.93 ATR (0.41) MAPKAPK2ATRTBK1HDAC1KDM1A
SCHEMBL429080 0.92 CNR2 (0.39) MAPKAPK2ATRJAK2HDAC8HDAC6
SCHEMBL430291 0.92 MAPKAPK2 (0.38) MAPKAPK2ATRHDAC1HDAC3HDAC2
SCHEMBL429124 0.86 MAPKAPK2 (0.42) MAPKAPK2HDAC1KDM1A
SCHEMBL428237 0.86 MAPKAPK2 (0.55) MAPKAPK2TBK1HDAC1KDM1AJAK1
SCHEMBL428903 0.84 ALOX5AP (0.40) MAPKAPK2JAK2JAK3JAK1TYK2
SCHEMBL429912 0.84 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL429141 0.84 MAPKAPK2 (0.54) MAPKAPK2TBK1HDAC1KDM1AJAK1
SCHEMBL428757 0.83 MAPKAPK2 (0.38) MAPKAPK2TGFBR1PRKAB2PRKAG1PRKAA2
SCHEMBL427611 0.83 DGAT1 (0.36) MAPKAPK2TBK1

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 480/4885ATR 820/4885XDH 781/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885ATR 820/4885XDH 781/4885

“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.