SCHEMBL236466

SCHEMBL236466

CN1C(=O)c2c(ncn2Cc2ccccc2)N2CCCN=C12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SOS1 Q07889 1/20 0.43
▸ TRPA1 O75762 2/20 0.42
▸ PDE4A P27815 3/20 0.42
▸ CYP11B2 P19099 1/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.41
▸ HRH4 Q9H3N8 2/20 0.40
▸ PDE5A O76074 3/20 0.40

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
SCHEMBL233753 0.93 TSHR (0.58) TSHRALDH1A1TRPA1PDE4ACYP11B2
SCHEMBL16298420 0.80 TSHR (0.50) TSHRALDH1A1PDE4ACYP11B2PDE4B
SCHEMBL715508 0.74 ALDH1A1 (0.52) TSHRALDH1A1PDE4ACYP11B2PDE4B
SCHEMBL235836 0.74 ALDH1A1 (0.54) TSHRALDH1A1PDE4ACYP11B2PDE5A
SCHEMBL237742 0.74 PDE5A (0.64) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7440439 0.74 PDE5A (0.67) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL193091 0.74 PDE5A (0.67) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL237741 0.74 PDE5A (0.64) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL193092 0.74 PDE5A (0.67) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL237740 0.74 PDE5A (0.64) PDE4APDE4BPDE4CPDE4DPDE5A

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 30 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
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 — — WO 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
WO-2010098839-A1 PDE 1 INHIBITORS FOR OPHTHALMIC DISORDERS INTRA-CELLULAR THERAPIES, INC. (US) 2010-09-02 — — WO disclosed
US-20100087450-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-04-08 — — US disclosed
EP-2081431-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2009-07-29 — — EP disclosed
WO-2008063505-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2008-05-29 — — WO disclosed
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 — — EP disclosed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 — — US 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 (9 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 TSHR 3127/4885ALDH1A1 22/4885MEN1 4007/4885
US-20180280396-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A TSHR 3127/4885ALDH1A1 22/4885MEN1 4007/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A TSHR 3845/4885ALDH1A1 1254/4885MEN1 3234/4885
US-20100087450-A1 ORGANIC COMPOUNDS PDE3A, PDE5A, PDE2A TSHR 4085/4885ALDH1A1 79/4885MEN1 2893/4885
US-20100323997-A1 NOVEL USES PDE5A, PDE2A, PDE3A TSHR 810/4885ALDH1A1 483/4885MEN1 4471/4885
US-10238660-B2 Organic compounds PDE5A, PDE4A, PDE3A TSHR 3127/4885ALDH1A1 22/4885MEN1 4007/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A TSHR 3757/4885ALDH1A1 1873/4885MEN1 3784/4885
US-11464781-B2 PDE1 inhibitors for ophthalmic disorders PDE12, PDE5A, PDE3A TSHR 3924/4885ALDH1A1 397/4885MEN1 2024/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A TSHR 3893/4885ALDH1A1 1336/4885MEN1 2693/4885

“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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