SCHEMBL6984527

SCHEMBL6984527

CNc1ncc(N)cc1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.37
NOS1 P29475 3/20 0.37
NOS2 P35228 3/20 0.37
UHRF1 Q96T88 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAP4K4 O95819 2/20 0.34
NNMT P40261 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
PDPK1 O15530 1/20 0.33
KDM4E B2RXH2 2/20 0.32
PDE10A Q9Y233 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
NUDT1 P36639 1/20 0.30

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
SCHEMBL13199572 0.77 NOS3 (0.48) NOS3NOS1NOS2ALDH1A1NNMT
SCHEMBL15081248 0.77 APP (0.39) ALDH1A1MAP4K4PDPK1LMNATP53
SCHEMBL3590963 0.77 GRM4 (0.41) ALDH1A1MAP4K4NNMTCYP3A4PDPK1
SCHEMBL94027 0.77
SCHEMBL30154986 0.77
SCHEMBL20547368 0.76 GABRP (0.41) NOS3NOS1NOS2ALDH1A1NNMT
Hydrochloric Acid SCHEMBL28718520 0.76 NOS3 (0.46) NOS3NOS1NOS2ALDH1A1NNMT
SCHEMBL2791730 0.75 ALDH1A1 (0.41) NOS3NOS1NOS2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL27623348 0.75 NOS3 (0.41) NOS3NOS1NOS2UHRF1ALDH1A1
Hydrochloric Acid SCHEMBL4046885 0.75 NOS3 (0.41) NOS3NOS1NOS2UHRF1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 EP disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
WO-2008051405-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 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 (2 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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR NOS3 311/4885NOS1 1185/4885NOS2 1195/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH NOS3 1614/4885NOS1 2176/4885NOS2 1129/4885

“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.