Sugi Predict

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SCHEMBL715508

SCHEMBL715508

CN1C(=O)c2c(ncn2Cc2ccccc2)N2C1=NCC21CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PDE5A O76074 10/20 0.41
▸ PDE4A P27815 3/20 0.41
▸ PDE4B Q07343 3/20 0.41
▸ PDE4C Q08493 3/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ PDE1B Q01064 1/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ ADORA2B P29275 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL4551856 0.89 ALDH1A1 (0.48) ALDH1A1TSHRPDE5APDE4APDE4B
SCHEMBL8798561 0.81 PDE5A (0.56) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL236466 0.74 TSHR (0.56) ALDH1A1TSHRPDE5APDE4APDE4B
SCHEMBL233753 0.74 TSHR (0.58) ALDH1A1TSHRPDE5APDE4APDE4B
SCHEMBL193091 0.71 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL237742 0.71 PDE5A (0.64) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7440439 0.71 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL193092 0.71 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL235836 0.71 ALDH1A1 (0.54) ALDH1A1TSHRPDE5APDE4ACYP11B2
SCHEMBL237741 0.71 PDE5A (0.64) 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053190-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC 2012-03-01 — — US claimed
US-20100323997-A1 NOVEL USES INTRACELLULAR THERAPIES, INC. (US) 2010-12-23 — — US claimed
US-20100087450-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-04-08 — — US claimed
EP-2081431-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2009-07-29 — — EP claimed
WO-2008063505-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2008-05-29 — — WO claimed
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 — — EP claimed
US-11464781-B2 PDE1 inhibitors for ophthalmic disorders INTRA-CELLULAR THERAPIES, INC. (US) 2022-10-11 — — US disclosed
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-09 — — US disclosed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 — — US disclosed
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-14 — — US disclosed
US-10238660-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2019-03-26 — — US disclosed
US-20180280396-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2018-10-04 — — US disclosed
US-10010553-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-07-03 — — US disclosed
US-20100323997-A1 NOVEL USES INTRACELLULAR THERAPIES, INC. (US) 2010-12-23 — — US disclosed
WO-2010132127-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-11-18 — — WO disclosed
US-20100087450-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-04-08 — — US disclosed
EP-2089034-A1 NOVEL USES Intra-Cellular Therapies, Inc. (US) 2009-08-19 — — EP disclosed
WO-2008070095-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2008-06-12 — — WO disclosed
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 — — EP disclosed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 — — 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 (10 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-20120053190-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A ALDH1A1 22/4885TSHR 3127/4885PDE5A 1/4885
US-20180280396-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A ALDH1A1 22/4885TSHR 3127/4885PDE5A 1/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A ALDH1A1 1254/4885TSHR 3845/4885PDE5A 1/4885
US-10010553-B2 Organic compounds PDE5A, PDE4A, PDE3A ALDH1A1 22/4885TSHR 3127/4885PDE5A 1/4885
US-20100087450-A1 ORGANIC COMPOUNDS PDE3A, PDE5A, PDE2A ALDH1A1 79/4885TSHR 4085/4885PDE5A 2/4885
US-20100323997-A1 NOVEL USES PDE5A, PDE2A, PDE3A ALDH1A1 483/4885TSHR 810/4885PDE5A 1/4885
US-10238660-B2 Organic compounds PDE5A, PDE4A, PDE3A ALDH1A1 22/4885TSHR 3127/4885PDE5A 1/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A ALDH1A1 1873/4885TSHR 3757/4885PDE5A 1/4885
US-11464781-B2 PDE1 inhibitors for ophthalmic disorders PDE12, PDE5A, PDE3A ALDH1A1 397/4885TSHR 3924/4885PDE5A 2/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A ALDH1A1 1336/4885TSHR 3893/4885PDE5A 1/4885

“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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