SCHEMBL5233784

SCHEMBL5233784

Cc1nn(C2CCCCC2)c(C#N)c1NC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.43
PDE7A Q13946 4/20 0.42
KCNJ6 P48051 4/20 0.42
KCNJ3 P48549 4/20 0.42
KCNJ5 P48544 3/20 0.42
ADCY1 Q08828 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
HPGD P15428 1/20 0.42
CNR1 P21554 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5228798 0.85 LMNA (0.46) KMT2AALDH1A1TP53PDE7ALMNA
SCHEMBL1811782 0.68 HPGD (0.44) KMT2AALDH1A1PDE7AKCNJ6KCNJ3
SCHEMBL14003136 0.68 KMT2A (0.47) KMT2AALDH1A1TP53KCNJ6KCNJ3
SCHEMBL5232285 0.67 PKM (0.44) ALDH1A1PDE7AHPGDKDM4ELMNA
SCHEMBL27954182 0.67 MAPK13 (0.47) PDE7AKCNJ6KCNJ3KCNJ5MAPK13
SCHEMBL19182503 0.67 ALDH1A1 (0.47) ALDH1A1PDE7AKCNJ6KCNJ3KCNJ5
SCHEMBL13860635 0.67 PDE7A (0.41) ALDH1A1PDE7AKCNJ6KCNJ3KCNJ5
SCHEMBL1815100 0.66 ALDH1A1 (0.39) ALDH1A1PDE7AHPGDKDM4E
SCHEMBL5233410 0.65 PDE7A (0.54) PDE7A
SCHEMBL5233570 0.65 KMT2A (0.47) KMT2APDE7ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1454897-B1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7-INHIBITORY ACTIVITY ASUBIO PHARMA CO LTD (JP) 2007-10-10 EP disclosed
EP-1454897-B1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7-INHIBITORY ACTIVITY ASUBIO PHARMA CO LTD (JP) 2007-10-10 EP disclosed
US-7268128-B2 1,3,5-trisubstituted-5-phenyl and 5-pyridyl pyrazolopyrimidinone derivatives having PDE7 inhibiting action AUSBIO PHARMA CO., LTD. (JP) 2007-09-11 US disclosed
US-7268128-B2 1,3,5-trisubstituted-5-phenyl and 5-pyridyl pyrazolopyrimidinone derivatives having PDE7 inhibiting action AUSBIO PHARMA CO., LTD. (JP) 2007-09-11 US disclosed
US-7268128-B2 1,3,5-trisubstituted-5-phenyl and 5-pyridyl pyrazolopyrimidinone derivatives having PDE7 inhibiting action AUSBIO PHARMA CO., LTD. (JP) 2007-09-11 US disclosed
US-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action OMEROS CORPORATION 2005-07-07 US disclosed
EP-1454897-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7−INHIBITORY ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-09-08 EP 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-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action PDE7B, PDE3B, PDE3A KMT2A 4007/4885ALDH1A1 711/4885TP53 2625/4885

“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.