SCHEMBL4790262

SCHEMBL4790262

CN(C(=O)c1ccc(OC(=O)C(C)(C)C)cc1)c1nc(-c2ccncc2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.46
GRM1 Q13255 6/20 0.45
HPGDS O60760 1/20 0.38
ROCK2 O75116 1/20 0.37
GRK2 P25098 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4788081 0.86 ELANE (0.47) ELANEGRM1HPGDSROCK2GRK2
SCHEMBL4790650 0.86 PDK2 (0.39) ELANEGRM1HPGDSROCK2GRK2
SCHEMBL4790122 0.81 GRM1 (0.47) GRM1HPGDSROCK2GRK2KDM4E
SCHEMBL4788260 0.81 HPGDS (0.55) GRM1HPGDSROCK2GRK2KDM4E
SCHEMBL4790069 0.76 EGFR (0.42) ELANEGRM1ROCK2
SCHEMBL4790264 0.74 ROCK2 (0.53) ELANEROCK2GRK2CYP3A4
SCHEMBL4788586 0.74 GRM1 (0.43) GRM1HPGDSROCK2GRK2KDM4E
SCHEMBL4811243 0.74 KDM4E (0.39) GRM1HPGDSROCK2GRK2CYP3A4
SCHEMBL4789485 0.72 HSP90AA1 (0.36) ELANEGRM1HPGDSROCK2GRK2
SCHEMBL21341748 0.69 ELANE (0.64) ELANEROCK2CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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 (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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA ELANE 1482/4885GRM1 3978/4885HPGDS 247/4885

“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.