SCHEMBL6586097

SCHEMBL6586097

COc1cc2c(Cc3ccncc3)n[nH]c(=O)c2cc1OC

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 4/20 0.63
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
PDE10A Q9Y233 3/20 0.59
AR P10275 2/20 0.51
PARP1 P09874 4/20 0.49
LMNA P02545 1/20 0.45
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL25548688 0.87 CYP2C9 (0.70) ENPP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL6589989 0.85 CYP11B1 (0.53) ENPP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7580210 0.85 ENPP1 (0.65) ENPP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL25548998 0.85 ENPP1 (0.65) ENPP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL28917141 0.85 ENPP1 (0.62) ENPP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL24000595 0.85 ENPP1 (0.69) ENPP1CYP3A4CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL30088725 0.84 ENPP1 (0.67) ENPP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL24000743 0.84 ENPP1 (0.74) ENPP1CYP3A4CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL30088793 0.83 ENPP1 (0.73) ENPP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7515428 0.82 ENPP1 (0.47) ENPP1CYP3A4CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097142-B1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-10-13 EP disclosed
EP-1124829-B1 TRICYCLIC PHTHALAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-08-04 EP disclosed
US-20040043999-A1 Phthalazine derivatives as phosphodiesterase 4-inhibitors ZAMBON GROUP S.P.A 2004-03-04 US disclosed
EP-1042300-B1 PHTHALAZINE DERIVATIVES USEFUL AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-02-11 EP disclosed
EP-1371648-A1 Phthalazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.p.A. (IT) 2003-12-17 EP disclosed
US-6589951-B1 N right-arrowO derivatives and pharmaceutically acceptable salt thereof are PDE 4 and TNF pharmaceutically acceptable salt thereof are PDE 4 and TNF alpha inhibitors. ZAMBON GROUP S.P.A. (IT) 2003-07-08 US disclosed
US-6525055-B1 Allergic and inflammatory pathologies such as, for example, emphysema, chronic bronchitis, asthma and allergic rhinitis. ZAMBON GROUP S.P.A. (IT) 2003-02-25 US disclosed
US-6498160-B2 FOR THERAPY OF EMPHYSEMA, CHRONIC BRONCHITIS, ASTHMA AND ALLERGIC RHINITIS ZAMBON GROUP S.P.A. (IT) 2002-12-24 US disclosed
US-6492360-B1 Phthalazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.P.A. (IT) 2002-12-10 US disclosed
US-20020058662-A1 Phthalazine derivatives as phosphodiesterase 4 inhibitors ZAMBON GROUP S.P.A. (IT) 2002-05-16 US disclosed
US-6340684-B1 TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ASTHMA, ALLERGIC RHINITIS ZAMBON GROUP S.P.A. (IT) 2002-01-22 US disclosed
US-6329370-B1 CARDIOVASCULAR DISORDERS AND TUMOR NECROSIS FACTOR (HEREINAFTER TNF.SUB..ALPHA.), A CYTOKINE WITH PRO-INFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2001-12-11 US disclosed
EP-1098886-A1 PHTHALAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2001-05-16 EP disclosed
EP-1097142-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2001-05-09 EP disclosed
EP-1042300-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2000-10-11 EP disclosed
WO-2000005218-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2000-02-03 WO disclosed
WO-2000005219-A1 PHTHALAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2000-02-03 WO disclosed
WO-1999032456-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 1999-07-01 WO 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-20020058662-A1 Phthalazine derivatives as phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 ENPP1 53/4885CYP3A4 186/4885CYP2C9 1196/4885
US-20040043999-A1 Phthalazine derivatives as phosphodiesterase 4-inhibitors PDE5A, PDE3B, PDE3A ENPP1 218/4885CYP3A4 66/4885CYP2C9 408/4885

“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.