SCHEMBL5369129

SCHEMBL5369129

NC(=O)c1ccc2c(ccn2N2CCN(Cc3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PTGS2 P35354 1/20 0.44
GPR183 P32249 1/20 0.44
HTR6 P50406 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CHRNA7 P36544 1/20 0.42
DRD4 P21917 1/20 0.42
CNR1 P21554 1/20 0.42
LSS P48449 3/20 0.41
CHEK2 O96017 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
AKR1C3 P42330 1/20 0.40
PLG P00747 1/20 0.40

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
SCHEMBL5374688 0.84 GAA (0.47) ROCK2PIM1PIM3HDAC3HDAC1
SCHEMBL4091949 0.80 CHEK2 (0.43) PTGS2GPR183CNR1LSSCHEK2
SCHEMBL7375632 0.78 ROCK2 (0.46) ROCK2PIM1PIM3KDM4EALDH1A1
SCHEMBL5733306 0.75 ROCK2 (0.51) ROCK2PIM1PIM3DRD4KDM4E
SCHEMBL4096123 0.73 POLB (0.43) PTGS2GPR183DRD4CNR1LSS
SCHEMBL5733400 0.73 ROCK2 (0.41) ROCK2PIM1PIM3PLGPLAU
SCHEMBL5369135 0.72 CHEK1 (0.52) GPR183DRD4LSSCHEK2ALDH1A1
SCHEMBL5734925 0.71 F2 (0.47) ROCK2PIM1PIM3ALDH1A1
SCHEMBL5732957 0.70 NAMPT (0.54) CHEK2KDM4EALDH1A1SMN1; SMN2
SCHEMBL1064872 0.70 GPR183 (0.55) PTGS2GPR183CHRNA7LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP disclosed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US disclosed
US-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. 2003-04-17 US disclosed
US-6340685-B1 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-01-22 US disclosed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP disclosed
US-6130235-A PIPERIDINE MOIETIES COUPLED TO INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE. SCIOS INC. (US) 2000-10-10 US disclosed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 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-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders RCOR1, NR3C2, CNR1 ROCK2 2124/4885PIM1 2131/4885PIM3 2605/4885

“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.