SCHEMBL7488376

SCHEMBL7488376

CCN1CCC(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.51
IGF1R P08069 2/20 0.42
MAPK1 P28482 5/20 0.42
AKT1 P31749 1/20 0.38
MAPK3 P27361 1/20 0.37
MAPK14 Q16539 1/20 0.37
NSD3 Q9BZ95 1/20 0.37
EGFR P00533 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
ADORA2A P29274 3/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
ADORA2B P29275 1/20 0.35

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
SCHEMBL7485481 0.92 ADORA1 (0.52) ADORA1IGF1RMAPK1AKT1MAPK3
SCHEMBL7488103 0.91 ADORA1 (0.52) ADORA1IGF1RMAPK1AKT1EGFR
SCHEMBL7490771 0.90 ADORA1 (0.52) ADORA1IGF1RMAPK1EGFR
SCHEMBL7495433 0.89 ADORA1 (0.50) ADORA1IGF1RMAPK1AKT1DRD2
SCHEMBL7485492 0.89 ADORA1 (0.51) ADORA1IGF1RMAPK1EGFR
SCHEMBL7487498 0.89 ADORA1 (0.53) ADORA1IGF1RMAPK1AKT1MAPK3
Hydrochloric Acid SCHEMBL7541956 0.88 ADORA1 (0.52) ADORA1IGF1RMAPK1AKT1MAPK3
SCHEMBL7496245 0.86 ADORA1 (0.48) ADORA1IGF1RMAPK1AKT1MAPK3
SCHEMBL7668541 0.86 ADORA1 (0.53) ADORA1IGF1RMAPK1AKT1MAPK3
SCHEMBL7487132 0.85 ADORA1 (0.52) ADORA1IGF1RMAPK1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109645-A1 ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT AND PREVENTION OF VASCULAR OR JOINT CAPSULE CALCIFICATION DISORDERS The united States of America,as represented by Secretary,Dept.,of Health and Human Services (US) 2013-05-02 US disclosed
EP-0925299-B1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO (JP) 2002-09-25 EP disclosed
US-6124456-A Pyrazolopyridine compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-26 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 (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-20130109645-A1 ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT AND PREVENTION OF VASCULAR OR JOINT CAPSULE CALCIFICATION DISORDERS NT5E, NT5C2, NT5C3B ADORA1 9/4885IGF1R 1542/4885MAPK1 4287/4885

“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.