SCHEMBL3492777

SCHEMBL3492777

O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c(-c3cccnc3)n[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 4/20 0.54
▸ PDE1A P54750 3/20 0.54
▸ PDE1B Q01064 3/20 0.54
▸ PDE1C Q14123 3/20 0.54
▸ CYP11B1 P15538 3/20 0.38
▸ CYP11B2 P19099 3/20 0.38
▸ CBFB Q13951 1/20 0.36
▸ ATR Q13535 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ CLK2 P49760 1/20 0.33

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
SCHEMBL7039414 0.90 PDE9A (0.59) PDE9APDE1APDE1BPDE1CPOLB
SCHEMBL6371987 0.87 PDE9A (0.40) PDE9APDE1APDE1BPDE1CCYP11B1
SCHEMBL6366070 0.87 PDE9A (0.44) PDE9APDE1APDE1BPDE1CCYP11B1
SCHEMBL3494974 0.87 AR (0.41) PDE9APDE1APDE1BPDE1CIDO1
SCHEMBL3493363 0.85 PDE9A (0.55) PDE9APDE1APDE1BPDE1CCYP11B1
SCHEMBL6367719 0.82 CACNA1H (0.39) PDE9APDE1APDE1BPDE1CCYP11B1
SCHEMBL7039453 0.80 PDE9A (0.61) PDE9APDE1APDE1BPDE1CPOLB
SCHEMBL5067594 0.79 PDE9A (0.60) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL6368276 0.78 PIM1 (0.39) IDO1LRRK2BTKCLK2CLK3
SCHEMBL6372381 0.78 NTRK1 (0.41) IDO1LRRK2KMT2ABTKCLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440073-A1 PDE9 INHIBITORS FOR TREATING CARDIOVASCULAR DISORDERS Pfizer Limited (GB) 2004-07-28 — — EP claimed
US-20030195205-A1 PDE9 inhibitors for treating cardiovascular disorders PFIZER INC. 2003-10-16 — — US claimed
WO-2003037899-A1 PDE9 INHIBITORS FOR TREATING CARDIOVASCULAR DISORDERS PFIZER LIMITED (GB) 2003-05-08 — — WO claimed
US-20100113484-A1 TREATING AGENT OF UROPATHY ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-06 — — US disclosed
EP-2123301-A1 THERAPEUTIC AGENT FOR URINARY TRACT DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 — — EP disclosed
US-6967204-B2 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC (US) 2005-11-22 — — US disclosed
US-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC 2005-03-31 — — US disclosed
EP-1440073-A1 PDE9 INHIBITORS FOR TREATING CARDIOVASCULAR DISORDERS Pfizer Limited (GB) 2004-07-28 — — EP disclosed
US-20040023989-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors FRYBURG DAVID A (US) 2004-02-05 — — US disclosed
US-20030195205-A1 PDE9 inhibitors for treating cardiovascular disorders PFIZER INC. 2003-10-16 — — US disclosed
WO-2003037899-A1 PDE9 INHIBITORS FOR TREATING CARDIOVASCULAR DISORDERS PFIZER LIMITED (GB) 2003-05-08 — — 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 (4 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-20100113484-A1 TREATING AGENT OF UROPATHY BPHL, PDE12, UROD PDE9A 6/4885PDE1A 44/4885PDE1B 41/4885
US-20030195205-A1 PDE9 inhibitors for treating cardiovascular disorders PDE9A, PDE2A, PDE3A PDE9A 1/4885PDE1A 62/4885PDE1B 50/4885
US-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A PDE9A 3/4885PDE1A 46/4885PDE1B 39/4885
US-20040023989-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A PDE9A 3/4885PDE1A 46/4885PDE1B 39/4885

“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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