SCHEMBL3109357

SCHEMBL3109357

Cc1ccc(-c2noc(C(C)NC(=O)c3ccc(-c4ccncc4)cc3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
TP53 P04637 2/20 0.65
ROCK2 O75116 1/20 0.56
RPS6KA5 O75582 1/20 0.56
MAP4K4 O95819 1/20 0.56
CDK1 P06493 1/20 0.56
CSF1R P07333 1/20 0.56
PRKACA P17612 1/20 0.56
FLT1 P17948 1/20 0.56
RPS6KB1 P23443 1/20 0.56
CDK2 P24941 1/20 0.56
MAPK1 P28482 1/20 0.56
AKT1 P31749 1/20 0.56
FLT4 P35916 1/20 0.56
KDR P35968 1/20 0.56
FLT3 P36888 1/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
RPS6KA3 P51812 1/20 0.56
PRKX P51817 1/20 0.56

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
SCHEMBL3106870 0.95 ROCK2 (0.61) SMN1; SMN2TP53ROCK2RPS6KA5MAP4K4
SCHEMBL3102254 0.90 ROCK2 (0.67) SMN1; SMN2TP53ROCK2RPS6KA5MAP4K4
SCHEMBL3104470 0.89 KMT2A (0.65) SMN1; SMN2TP53ROCK2RPS6KA5MAP4K4
SCHEMBL3115663 0.88 KCNT1 (0.60) SMN1; SMN2TP53ROCK2RPS6KA5MAP4K4
SCHEMBL3101227 0.85 KCNT1 (0.58) SMN1; SMN2TP53ROCK2RPS6KA5MAP4K4
SCHEMBL3109564 0.82 ROCK1 (0.77) ROCK2RPS6KA5MAP4K4CDK1CSF1R
SCHEMBL25601373 0.81 KCNT1 (0.62) SMN1; SMN2TP53ROCK2MAPK1ROCK1
SCHEMBL3098628 0.81 KMT2A (0.66) SMN1; SMN2TP53ROCK2RPS6KA5MAP4K4
SCHEMBL3103842 0.79 ROCK1 (0.54) ROCK2RPS6KA5MAP4K4CDK1CSF1R
SCHEMBL25212563 0.78 KCNT1 (0.64) SMN1; SMN2TP53KCNT1KMT2ATDP1

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 7 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
EP-2193119-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS Abbott GmbH & Co. KG (DE) 2010-06-09 EP disclosed
WO-2009027392-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBOTT GMBH & CO. KG (DE) 2009-03-05 WO 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 SMN1; SMN2 4564/4885TP53 4641/4885ROCK2 3/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 SMN1; SMN2 4554/4885TP53 4636/4885ROCK2 3/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 SMN1; SMN2 4564/4885TP53 4641/4885ROCK2 3/4885

“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.