SCHEMBL3101094

SCHEMBL3101094

O=C(NCCc1ccc(Cl)cc1)c1ccc2[nH]ncc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.69
ROCK1 Q13464 3/20 0.69
MAOB P27338 4/20 0.65
L3MBTL1 Q9Y468 2/20 0.58
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
RPS6KB1 P23443 1/20 0.58
CLK2 P49760 1/20 0.58
DYRK1A Q13627 1/20 0.58
PRKG1 Q13976 1/20 0.58
PRKD2 Q9BZL6 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
SGK2 Q9HBY8 1/20 0.58
STK17A Q9UEE5 1/20 0.58
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
MAPT P10636 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL5416054 0.88 ROCK2 (0.67) ROCK2ROCK1MAOBNPC1RAB9A
SCHEMBL15147827 0.81 ROCK2 (1.00) ROCK2ROCK1PRKD3MAP4K4RPS6KB1
SCHEMBL5441326 0.81 MAOB (0.79) ROCK2ROCK1MAOBPRKD3MAP4K4
SCHEMBL5407158 0.81 MAOB (0.60) ROCK2ROCK1MAOBPRKD3MAP4K4
SCHEMBL3104225 0.81 L3MBTL1 (0.61) MAOBL3MBTL1NPC1RAB9AMAPT
SCHEMBL3634175 0.80 ROCK2 (0.62) ROCK2ROCK1PRKD3MAP4K4CLK2
SCHEMBL5404361 0.80 MAOB (0.59) ROCK2ROCK1MAOBL3MBTL1PRKD3
SCHEMBL14514474 0.79 MAOB (0.58) ROCK2ROCK1MAOBPRKD3MAP4K4
SCHEMBL1247905 0.79 RAB9A (0.63) L3MBTL1NPC1RAB9AMAPTCYP1A2
SCHEMBL21490262 0.78 ROCK2 (0.71) ROCK2ROCK1MAOBPRKD3MAP4K4

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-8362056-B2 4-heteroaryl-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2013-01-29 US disclosed
US-20100273850-A1 4-HETEROARYL-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA, INC. 2010-10-28 US disclosed
WO-2009061730-A2 4-HETEROARYL-SUBSTITUTED PHENOXYPHENYLACETIC ACID ARRAY BIOPHARMA INC. (US) 2009-05-14 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 (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-20100273850-A1 4-HETEROARYL-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, PTGDR2 ROCK2 3037/4885ROCK1 4401/4885MAOB 2425/4885

“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.