SCHEMBL269222

SCHEMBL269222

C[C@@H](NC(=O)c1ccc2nc(C(C)(C)C)ccc2c1)c1ccc2[nH]nnc2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
ROCK2 O75116 7/20 0.39
ROCK1 Q13464 7/20 0.39
NR1H4 Q96RI1 1/20 0.38
B3GNT2 Q9NY97 4/20 0.37
MAPK3 P27361 1/20 0.36
MTTP P55157 1/20 0.35
CA2 P00918 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
SCHEMBL263432 0.93 MAPK1 (0.42) MAPK1MEN1LMNAKMT2AROCK2
SCHEMBL269225 0.83 KMT2A (0.42) MAPK1MEN1LMNAKMT2AROCK2
SCHEMBL263879 0.83 KMT2A (0.42) MAPK1MEN1LMNAKMT2AROCK2
SCHEMBL269762 0.80 PDE2A (0.45) NR1H4
SCHEMBL264134 0.80 NR1H4 (0.47) MAPK1MEN1LMNAKMT2AROCK2
SCHEMBL1754180 0.79 LMNA (0.47) MAPK1MEN1LMNAKMT2AROCK2
SCHEMBL264194 0.78 SMYD3 (0.44) MAPK1MEN1LMNAKMT2A
SCHEMBL1753790 0.77 HPGD (0.47) MAPK1MEN1LMNAKMT2AROCK2
SCHEMBL1643203 0.76 LMNA (0.41) MAPK1MEN1LMNAKMT2AROCK2
SCHEMBL262974 0.76 ROCK2 (0.43) ROCK2ROCK1B3GNT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 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 (1 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 MAPK1 1388/4885MEN1 4051/4885LMNA 2567/4885

“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.