SCHEMBL13369870

SCHEMBL13369870

N#Cc1cc(-c2ccncc2)c(/C=N/N)[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 6/20 0.60
▸ PDE3B Q13370 5/20 0.60
▸ HPGD P15428 4/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ PDE4A P27815 2/20 0.60
▸ BLM P54132 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ PDE5A O76074 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ PTGS1 P23219 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ PDE4B Q07343 1/20 0.60
▸ PDE4C Q08493 1/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ GALR3 O60755 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL27552741 1.00 PDE3A (0.60) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11259651 0.78 PDE3A (0.61) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11259649 0.78 PDE3A (0.61) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL13346532 0.77 PDE3B (0.38) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL9309054 0.75 PDE3A (1.00) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL36947 0.75 PDE3A (1.00) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL9301167 0.75 PDE3A (1.00) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL9247989 0.75 PDE3A (1.00) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL28184205 0.74 PDE3A (0.97) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11226409 0.73 PDE3A (0.70) PDE3APDE3BHPGDKDM4EPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130597-A1 DNA-PKCS MODULATES ENERGY REGULATION AND BRAIN FUNCTION THE UNITED STATE OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPT OF HEALTH AND HUMAN SERVICE (US) 2010-05-27 — — 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-20100130597-A1 DNA-PKCS MODULATES ENERGY REGULATION AND BRAIN FUNCTION PRKAB1, PRKAG1, PRKAB2 PDE3A 2286/4885PDE3B 2479/4885HPGD 2290/4885

“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.

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