SCHEMBL3093029

SCHEMBL3093029

O=C(NC1CCc2ccccc21)c1ccc(-c2ccncc2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.55
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
TAS1R3 Q7RTX0 6/20 0.53
TAS1R1 Q7RTX1 6/20 0.53
TAS1R2 Q8TE23 3/20 0.53
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
ROCK1 Q13464 2/20 0.49
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.46
BRD4 O60885 1/20 0.46

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
SCHEMBL3112168 0.84 HTT (0.60) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL3112999 0.80 NAMPT (0.51) ALDH1A1ROCK1KMT2AMEN1
SCHEMBL3104549 0.80 NAMPT (0.51) ALDH1A1ROCK1KMT2AMEN1
SCHEMBL3112024 0.80 NAMPT (0.51) ALDH1A1ROCK1KMT2AMEN1
SCHEMBL3112685 0.78 HTT (0.72) ROCK2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL21330217 0.77 HDAC4 (0.50) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL3103957 0.77 ALDH1A1 (0.55) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL2468527 0.76 KMT2A (0.67) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL12505792 0.74 HTT (0.80) TAS1R3TAS1R1TAS1R2ALDH1A1TSHR
SCHEMBL8160654 0.74 HTT (0.70) PDE4APDE4BPDE4CPDE4DTAS1R3

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 ROCK2 3/4885PDE4A 576/4885PDE4B 568/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK2 3/4885PDE4A 576/4885PDE4B 568/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ROCK2 3/4885PDE4A 576/4885PDE4B 568/4885

“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.