SCHEMBL3492113

SCHEMBL3492113

CC(C)(C)c1n[nH]c2c(=O)[nH]c(Cc3cccc(Cl)c3)nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.59
▸ PDE9A O76083 1/20 0.59
▸ PDE1A P54750 1/20 0.59
▸ PDE1B Q01064 1/20 0.59
▸ PDE1C Q14123 1/20 0.59
▸ PNP P00491 1/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.40
▸ YTHDF3 Q7Z739 2/20 0.39
▸ YTHDC1 Q96MU7 2/20 0.39
▸ YTHDF1 Q9BYJ9 2/20 0.39
▸ YTHDF2 Q9Y5A9 2/20 0.39
▸ CCNE2 O96020 3/20 0.39
▸ CCNE1 P24864 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ DAO P14920 1/20 0.38
▸ CCNB2 O95067 2/20 0.38
▸ CDK1 P06493 2/20 0.38
▸ CDK4 P11802 2/20 0.38
▸ CCNB1 P14635 2/20 0.38
▸ CCND1 P24385 2/20 0.38

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
SCHEMBL3494823 0.82 PDE5A (0.71) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL6372391 0.81 PDE5A (0.62) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL6365929 0.78 PDE5A (0.53) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL6372415 0.76 PDE5A (0.52) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL6370997 0.70 PDE9A (0.55) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL6367840 0.70 MAPT (0.39) PDE9APDE1APDE1BPDE1CPNP
SCHEMBL6367545 0.69 PDE9A (0.53) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL6366773 0.69 PDE9A (0.51) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL401142 0.68 PDE5A (0.64) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL7043355 0.68 PDE5A (0.64) PDE5APDE9APDE1APDE1BPDE1C

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-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

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-20100113484-A1 TREATING AGENT OF UROPATHY BPHL, PDE12, UROD PDE5A 14/4885PDE9A 6/4885PDE1A 44/4885
US-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A PDE5A 4/4885PDE9A 3/4885PDE1A 46/4885

“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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