SCHEMBL7788876

SCHEMBL7788876

CNCc1cccc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.45
NOS2 P35228 4/20 0.45
KCNH3 Q9ULD8 1/20 0.43
BACE1 P56817 3/20 0.42
APP P05067 1/20 0.42
NOS1 P29475 10/20 0.42
CXCR4 P61073 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL19143346 0.89 ASIC3 (0.44) NOS3NOS2KCNH3BACE1APP
SCHEMBL523614 0.84 NPSR1 (0.54) CXCR4NPSR1
SCHEMBL18465500 0.83 KCNH3 (0.45) NOS3NOS2KCNH3BACE1APP
SCHEMBL31338416 0.81 KCNH3 (0.44) NOS3NOS2KCNH3BACE1APP
SCHEMBL1075990 0.80 CXCR4 (0.43) NOS3NOS2KCNH3BACE1APP
Hydrochloric Acid SCHEMBL31338408 0.79 KCNH3 (0.47) NOS3NOS2KCNH3BACE1APP
SCHEMBL8986161 0.79 NPSR1 (0.46) NOS2NOS1CXCR4NPSR1
SCHEMBL2476858 0.77 SMN1; SMN2 (0.53) NOS3NOS2CXCR4NPSR1ADORA2A
SCHEMBL7333040 0.77 CXCR4 (0.52) CXCR4NPSR1
SCHEMBL29791992 0.77 SMN1; SMN2 (0.53) NOS3NOS2CXCR4NPSR1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109120-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 WO disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
CN-1209060-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL NOS3 2385/4885NOS2 2809/4885KCNH3 3137/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 NOS3 1722/4885NOS2 1948/4885KCNH3 47/4885

“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.