SCHEMBL16626183

SCHEMBL16626183

CN1C(=O)c2c(ncn2Cc2ccccc2)N2C1=N[C@H]1Cc3ccccc3[C@H]12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ PDE5A O76074 15/20 0.45
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41

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
SCHEMBL715382 1.00 ALDH1A1 (0.49) ALDH1A1TSHRPDE5APDE4APDE4B
SCHEMBL16626181 1.00 ALDH1A1 (0.49) ALDH1A1TSHRPDE5APDE4APDE4B
SCHEMBL8799430 0.85 ALDH1A1 (0.49) ALDH1A1TSHRPDE5APDE4APDE4B
SCHEMBL715169 0.85 ALDH1A1 (0.49) ALDH1A1TSHRPDE5APDE4APDE4B
SCHEMBL715170 0.85 ALDH1A1 (0.49) ALDH1A1TSHRPDE5APDE4APDE4B
SCHEMBL7440439 0.81 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL237742 0.81 PDE5A (0.64) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL193091 0.81 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL193092 0.81 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL237741 0.81 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160375028-A1 ORGANIC COMPOUNDS FIENBERG ALLEN A (US) 2016-12-29 — — US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 — — US disclosed
US-9006258-B2 Method of treating female sexual dysfunction with a PDE1 inhibitor INTRA-CELLULAR THERAPIES, INC. (US) 2015-04-14 — — 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 (8 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-20180280396-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A ALDH1A1 22/4885TSHR 3127/4885PDE5A 1/4885
US-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A ALDH1A1 1873/4885TSHR 3757/4885PDE5A 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-20160375028-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A ALDH1A1 22/4885TSHR 3127/4885PDE5A 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-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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