SCHEMBL3239696

SCHEMBL3239696

COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccc(N)cc23)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.52
CNR1 P21554 1/20 0.50
ACHE P22303 1/20 0.50
CNR2 P34972 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
CYP1A2 P05177 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GMNN O75496 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL1898458 0.87 PDE5A (0.67) PDE5AALDH1A1MAPTCYP1A2SMN1; SMN2
SCHEMBL8484400 0.85 PDE5A (0.53) PDE5AALDH1A1MAPTCYP1A2SMN1; SMN2
SCHEMBL3240224 0.84 CNR2 (0.55) PDE5ACNR1ACHECNR2ALDH1A1
SCHEMBL14264654 0.82 PDE5A (0.63) PDE5AALDH1A1MAPTCYP1A2SMN1; SMN2
SCHEMBL2961075 0.82 PDE5A (0.70) PDE5AALDH1A1MAPTCYP1A2SMN1; SMN2
SCHEMBL2950681 0.82 PDE5A (0.70) PDE5AALDH1A1MAPTCYP1A2SMN1; SMN2
SCHEMBL4840627 0.82 PDE5A (0.73) PDE5AALDH1A1MAPTCYP1A2SMN1; SMN2
SCHEMBL3237858 0.81 PDE5A (0.75) PDE5ACNR1ACHECNR2ALDH1A1
SCHEMBL3245414 0.78 F2RL3 (0.67) PDE5AALDH1A1MAPTCYP1A2SMN1; SMN2
SCHEMBL1308851 0.78 PDE5A (0.46) PDE5AALDH1A1MAPTCYP1A2SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1418176-B1 Pyrazole derivates, their preparation and their use in drugs SANOFI AVENTIS DEUTSCHLAND (DE) 2010-04-28 EP disclosed
US-7300950-B2 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2007-11-27 US disclosed
US-20050176799-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH. 2005-08-11 US disclosed
US-6897232-B2 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-05-24 US disclosed
EP-1418176-A1 Pyrazole derivates, their preparation and their use in drugs Aventis Pharma Deutschland GmbH (DE) 2004-05-12 EP disclosed
EP-0908456-B1 Pyrazole derivatives, their preparation and their use in drugs AVENTIS PHARMA GMBH (DE) 2003-12-17 EP disclosed
US-20030105336-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH 2003-06-05 US disclosed
US-6162819-A Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-19 US disclosed
CN-1214339-A Pyrazole derivatives, their preparation and their use in pharmaceuticals HOECHST MARION ROUSSEL DE GMBH (DE) 1999-04-21 CN disclosed
EP-0908456-A1 Pyrazole derivatives, their preparation and their use in drugs Hoechst Marion Roussel Deutschland GmbH (DE) 1999-04-14 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 (2 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-20050176799-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals PDE3A, PDE3B, PDE5A PDE5A 3/4885CNR1 373/4885ACHE 1309/4885
US-20030105336-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals PDE3B, PDE3A, PDE5A PDE5A 3/4885CNR1 288/4885ACHE 1869/4885

“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.