SCHEMBL4286873

SCHEMBL4286873

c1ccc(CCNc2nc3ccc(-c4ccnc5[nH]ccc45)cc3s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
DYRK1A Q13627 3/20 0.47
MAP4K4 O95819 2/20 0.47
PRKACA P17612 2/20 0.47
CLK2 P49760 2/20 0.47
PRKX P51817 2/20 0.47
ROCK1 Q13464 2/20 0.47
AURKB Q96GD4 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
RPS6KB1 P23443 2/20 0.47
ROCK2 O75116 1/20 0.47
PRKCG P05129 1/20 0.47
LYN P07948 1/20 0.47
AKT1 P31749 1/20 0.47
FLT3 P36888 1/20 0.47
CSNK1D P48730 1/20 0.47
IRAK1 P51617 1/20 0.47
NEK4 P51957 1/20 0.47
PRKCD Q05655 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
SCHEMBL4280340 0.82 CIT (0.49) RAB9ADYRK1AMAP4K4PRKACACLK2
SCHEMBL4283685 0.77 MAP4K4 (0.78) NPC1RAB9ADYRK1AMAP4K4PRKACA
SCHEMBL4287952 0.75 PRKCI (0.46) DYRK1AMAP4K4PRKACACLK2PRKX
SCHEMBL4286072 0.72 AURKB (0.56) ROCK1AURKBROCK2PIK3CA
SCHEMBL5305295 0.71 NPC1 (0.70) NPC1RAB9ADYRK1AMAP4K4PRKACA
SCHEMBL20855098 0.71 ABL1 (0.68)
SCHEMBL4286988 0.70 MAP4K4 (0.74) NPC1RAB9ADYRK1AMAP4K4PRKACA
SCHEMBL9358637 0.70 NPC1 (1.00) NPC1RAB9ACSNK1DBCHEACHE
SCHEMBL30009307 0.69 IKBKB (0.68) DYRK1AMAP4K4PRKACACLK2PRKX
SCHEMBL4281926 0.68 MAP4K4 (0.70) NPC1RAB9ADYRK1AMAP4K4PRKACA

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-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 US claimed
WO-2009126635-A1 2-AMINO-BENZOTHIAZOLE DERIVATES USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 WO claimed
US-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 US disclosed
WO-2009126635-A1 2-AMINO-BENZOTHIAZOLE DERIVATES USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 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-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ROCK1, ROCK2, RHOA NPC1 2423/4885RAB9A 196/4885DYRK1A 554/4885

“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.