SCHEMBL3092589

SCHEMBL3092589

C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1Cl)c1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
MAPK3 P27361 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PDE2A O00408 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
MAP4K4 O95819 1/20 0.47
CDK1 P06493 1/20 0.47
CSF1R P07333 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
AKT1 P31749 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47

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
SCHEMBL24731558 0.86
SCHEMBL30083148 0.86
SCHEMBL24731563 0.86
SCHEMBL3114419 0.85 ROCK2 (0.50) MAPK1MAPK3ROCK2RPS6KA5MAP4K4
SCHEMBL3098714 0.85 MEN1 (0.61) MAPK1MEN1KMT2AROCK2RPS6KA5
SCHEMBL3104517 0.85 MEN1 (0.61) MAPK1MEN1KMT2AROCK2RPS6KA5
SCHEMBL3108847 0.84 ROCK2 (0.66) MAPK1MAPK3PDE2ALMNAGAA
SCHEMBL3103502 0.84 ROCK2 (0.66) MAPK1MAPK3PDE2ALMNAGAA
SCHEMBL3104350 0.84 SMN1; SMN2 (0.52) MAPK1MAPK3MEN1KMT2AROCK2
SCHEMBL3112357 0.84 SMN1; SMN2 (0.52) MAPK1MAPK3MEN1KMT2AROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE DEUTSCHLAND (DE) 2015-04-16 US disclosed
US-8895749-B2 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE INC. (US) 2014-11-25 US disclosed
US-20130310378-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE INC. (US) 2013-11-21 US disclosed
US-8445686-B2 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE INC. (US) 2013-05-21 US disclosed
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-10-28 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 (3 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-20130310378-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 MAPK1 786/4885MAPK3 221/4885MEN1 4364/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 MAPK1 786/4885MAPK3 217/4885MEN1 4369/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 MAPK1 786/4885MAPK3 221/4885MEN1 4364/4885

“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.