SCHEMBL2361758

SCHEMBL2361758

CN1C(=O)c2c[nH]cc2N2C1=N[C@@H]1CCC[C@@H]12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 12/20 0.52
▸ PDE4A P27815 3/20 0.52
▸ PDE4B Q07343 3/20 0.52
▸ PDE4C Q08493 3/20 0.52
▸ PDE4D Q08499 3/20 0.52
▸ PDE3B Q13370 4/20 0.47
▸ PDE3A Q14432 4/20 0.47

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
SCHEMBL2361328 0.79 PDE5A (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7435158 0.72 PDE5A (0.50) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL715015 0.71 PDE5A (0.62) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL2705471 0.71 PDE5A (0.62) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL715016 0.71 PDE5A (0.62) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL2362351 0.69 PDE5A (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL236620 0.69 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL236619 0.69 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL236618 0.69 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7440110 0.68 PDE5A (0.97) PDE5APDE4APDE4BPDE4CPDE4D

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
US-9763948-B2 PDE1 inhibitory compounds and methods INTRA-CELLULAR THERAPIES, INC. (US) 2017-09-19 — — US disclosed
EP-2358204-B1 4,5,7,8-tetrahydro-4-oxo-2H-imidazo[1,2-a]pyrrolo[3,4-e]pyrimidine compounds as PDE1 inhibitors. INTRA CELLULAR THERAPIES INC (US) 2015-08-05 — — EP disclosed
US-20150072965-A1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2015-03-12 — — US disclosed
US-20140148421-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2014-05-29 — — US disclosed
US-8664207-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2014-03-04 — — US disclosed
US-20130331363-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2013-12-12 — — US disclosed
EP-2576551-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2013-04-10 — — EP disclosed
WO-2011153138-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2011-12-08 — — WO disclosed
US-20110237561-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2011-09-29 — — US disclosed
EP-2358204-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2011-08-24 — — EP disclosed
WO-2010065148-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-06-10 — — 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-20140148421-A1 ORGANIC COMPOUNDS TPMT, TYMS, THPO PDE5A 1584/4885PDE4A 989/4885PDE4B 828/4885
US-20130331363-A1 ORGANIC COMPOUNDS TPMT, TYMS, THPO PDE5A 2313/4885PDE4A 991/4885PDE4B 966/4885
US-20150072965-A1 ORGANIC COMPOUNDS TPMT, TYMS, THPO PDE5A 1584/4885PDE4A 989/4885PDE4B 828/4885
US-20110237561-A1 ORGANIC COMPOUNDS TPMT, TYMS, THPO PDE5A 1584/4885PDE4A 989/4885PDE4B 828/4885

“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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