SCHEMBL6037006

SCHEMBL6037006

NC(=O)Cc1nc(-c2ccncc2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.54
GRK2 P25098 15/20 0.54
GRK3 P35626 2/20 0.50
PRKCA P17252 3/20 0.49
LMNA P02545 1/20 0.48
GRK5 P34947 1/20 0.46
GRK7 Q8WTQ7 1/20 0.46
PDE10A Q9Y233 1/20 0.46
RAB9A P51151 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
SCHEMBL4789113 0.86 ROCK2 (0.55) ROCK2GRK2GRK3PRKCALMNA
SCHEMBL14736425 0.86 LMNA (0.63) ROCK2GRK2GRK3PRKCALMNA
SCHEMBL14736428 0.82 SMN1; SMN2 (0.51) LMNAPDE10A
SCHEMBL4788582 0.79 ROCK2 (0.62) ROCK2GRK2GRK3PRKCAGRK5
SCHEMBL4789370 0.79 LMNA (0.78) ROCK2GRK2GRK3PRKCALMNA
SCHEMBL4789632 0.78 ROCK2 (0.56) ROCK2GRK2PDE10A
Hydrochloric Acid SCHEMBL4789635 0.77 ROCK2 (0.55) ROCK2GRK2PDE10A
Bromide SCHEMBL4788732 0.77 ROCK2 (0.55) ROCK2GRK2PDE10A
SCHEMBL7910285 0.76 ROCK2 (0.56) ROCK2GRK2PDE10A
Hydrochloric Acid SCHEMBL14736164 0.74 ROCK2 (0.55) ROCK2GRK2PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4301736-B1 MACROCYCLIC COMPOUNDS AS PROTEASOME SUBUNIT BETA TYPE-5 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2025-10-08 EP claimed
EP-4155296-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME SUBUNIT BETA TYPE-5 INHIBITORS Lead Discovery Center GmbH (DE) 2023-03-29 EP claimed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US claimed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US claimed
EP-4301736-B1 MACROCYCLIC COMPOUNDS AS PROTEASOME SUBUNIT BETA TYPE-5 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2025-10-08 EP disclosed
US-20240415819-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME SUBUNIT BETA TYPE-5 INHIBITORS QLi5 Therapeutics AG (DE) 2024-12-19 US disclosed
EP-4155296-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME SUBUNIT BETA TYPE-5 INHIBITORS Lead Discovery Center GmbH (DE) 2023-03-29 EP disclosed
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US disclosed
US-20060019952-A1 Anti-viral therapeutics ELIXIR PHARMACEUTICALS, INC. 2006-01-26 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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A ROCK2 76/4885GRK2 288/4885GRK3 237/4885
US-20060019952-A1 Anti-viral therapeutics CD4, MAVS, HAVCR2 ROCK2 3528/4885GRK2 4500/4885GRK3 4057/4885
US-20240415819-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME SUBUNIT BETA TYPE-5 INHIBITORS PSMB5, PSMA5, PSMB1 ROCK2 4793/4885GRK2 4463/4885GRK3 4175/4885

“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.