SCHEMBL14091529

SCHEMBL14091529

c1ccc(-c2n[nH]cc2-c2nc3ncccc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 13/20 0.56
▸ AURKA O14965 4/20 0.56
▸ PDE4A P27815 6/20 0.54
▸ PDE4B Q07343 6/20 0.54
▸ PDE4C Q08493 6/20 0.54
▸ PDE4D Q08499 6/20 0.54
▸ METAP2 P50579 1/20 0.52
▸ METAP1 P53582 1/20 0.52
▸ PRMT5 O14744 2/20 0.51

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
SCHEMBL27878086 0.81 PDE5A (0.56) PDE5AAURKAPDE4APDE4BPDE4C
SCHEMBL14115847 0.81 PDE5A (0.68) PDE5AAURKAPDE4APDE4BPDE4C
SCHEMBL1284270 0.80 AURKA (0.73) PDE5AAURKAMETAP2METAP1PRMT5
Hydrochloric Acid SCHEMBL11776694 0.79 AURKA (0.71) PDE5AAURKAMETAP2METAP1PRMT5
SCHEMBL31599727 0.77 NUDT1 (0.53) PDE5AAURKAPDE4APDE4BPDE4C
SCHEMBL14091543 0.76 PDE5A (0.51) PDE5AAURKAPDE4APDE4BPDE4C
SCHEMBL1170747 0.75 METAP1 (0.72) PDE5AAURKAPDE4APDE4BPDE4C
SCHEMBL16940832 0.73 ALDH1A1 (0.65) METAP2
SCHEMBL14090248 0.73 PDE5A (0.68) PDE5AAURKAPDE4APDE4BPDE4C
SCHEMBL12834042 0.72 PDE5A (0.60) PDE5AAURKAPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 PDE5A 2213/4885AURKA 780/4885PDE4A 1469/4885

“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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