SCHEMBL5122955

SCHEMBL5122955

CNc1ncnc2c1ncn2Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.85
▸ PDE4B Q07343 3/20 0.85
▸ PDE4C Q08493 3/20 0.85
▸ PDE4D Q08499 3/20 0.85
▸ PDE5A O76074 2/20 0.68
▸ PDE1A P54750 2/20 0.68
▸ PDE1B Q01064 2/20 0.68
▸ PDE3B Q13370 2/20 0.68
▸ PDE1C Q14123 2/20 0.68
▸ PDE3A Q14432 2/20 0.68
▸ HTT P42858 1/20 0.68
▸ YTHDC1 Q96MU7 1/20 0.67
▸ ADORA2A P29274 4/20 0.63
▸ PI4KA P42356 1/20 0.63
▸ PI4K2B Q8TCG2 1/20 0.63
▸ PI4K2A Q9BTU6 1/20 0.63
▸ PI4KB Q9UBF8 1/20 0.63
▸ DAPK1 P53355 1/20 0.59
▸ TMIGD3 P0DMS9 2/20 0.57
▸ ADORA1 P30542 2/20 0.57

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
SCHEMBL5125772 0.86 HTT (0.73) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL31088348 0.86 HTT (0.68) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL1832682 0.85 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL17933852 0.84 ADORA2A (0.74) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL11459985 0.82 SMN1; SMN2 (0.64) PDE4APDE4BPDE4CPDE4DPDE5A
Bw-A78U SCHEMBL1883213 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL27388300 0.81 YTHDC1 (1.00) YTHDC1ADORA2A
SCHEMBL7644240 0.80 HTT (0.68) PDE4APDE4BPDE4CPDE4DHTT
Bw-A78U SCHEMBL11014914 0.80 PDE4A (0.97) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL29133991 0.79 HPGD (0.80) PDE4APDE4BPDE4CPDE4DHTT

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-20080280926-A1 Phosphodiesterase Inhibitors RANBAXY LABORATORIES LIMITED (IN) 2008-11-13 — — 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-20080280926-A1 Phosphodiesterase Inhibitors PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885

“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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