SCHEMBL2510077

SCHEMBL2510077

CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2[S+](C)[O-])N2C1=N[C@@H]1CCC[C@@H]12

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 18/20 0.78
▸ PDE1A P54750 2/20 0.74
▸ PDE1B Q01064 1/20 0.74

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
SCHEMBL18927931 1.00 PDE4A (0.78) PDE4APDE1APDE1B
SCHEMBL2510080 1.00 PDE4A (0.78) PDE4APDE1APDE1B
SCHEMBL2512525 1.00 PDE4A (0.78) PDE4APDE1APDE1B
SCHEMBL2510081 0.91 PDE4A (0.75) PDE4APDE1APDE1B
SCHEMBL14243423 0.89 PDE4A (0.85) PDE4APDE1APDE1B
SCHEMBL14158310 0.89 PDE4A (0.85) PDE4APDE1APDE1B
SCHEMBL29790189 0.89 PDE4A (0.85) PDE4APDE1APDE1B
SCHEMBL2472569 0.86 PDE1A (0.87) PDE4APDE1APDE1B
SCHEMBL18928137 0.86 PDE1A (0.87) PDE4APDE1APDE1B
SCHEMBL2509883 0.85 PDE4A (0.79) PDE4APDE1APDE1B

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11291666-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2022-04-05 — — US disclosed
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-09 — — US disclosed
US-20210213018-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2021-07-15 — — US disclosed
US-20200289518-A1 METHOD FOR TREATING BRAIN OR NERVE INJURY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-09-17 — — US disclosed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 — — US disclosed
US-10398698-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-03 — — 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-20180177782-A9 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2018-06-28 — — US disclosed
US-20180177782-A9 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2018-06-28 — — US disclosed
US-20180000825-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2018-01-04 — — US disclosed
EP-2367429-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2017-06-07 — — EP disclosed
US-20160083390-A1 ORGANIC COMPOUNDS LI PENG (US) 2016-03-24 — — US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 — — US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 — — US disclosed
US-20150374699-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. 2015-12-31 — — US disclosed
US-20150374699-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. 2015-12-31 — — US disclosed
US-20150038474-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-02-05 — — US disclosed
US-20140005155-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC (US) 2014-01-02 — — US disclosed
US-8536159-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2013-09-17 — — US disclosed
US-20110245214-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2011-10-06 — — 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 (15 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-20180000825-A1 NOVEL USES PDE2A, PDE5A, PDE3A PDE4A 6/4885PDE1A 13/4885PDE1B 21/4885
US-20200289518-A1 METHOD FOR TREATING BRAIN OR NERVE INJURY GAP43, NGF, CHAT PDE4A 236/4885PDE1A 1787/4885PDE1B 1519/4885
US-20150038474-A1 ORGANIC COMPOUNDS TPMT, SULT1E1, UGT2B7 PDE4A 2122/4885PDE1A 4789/4885PDE1B 4794/4885
US-10398698-B2 Uses PDE5A, PDE2A, PDE3A PDE4A 6/4885PDE1A 19/4885PDE1B 29/4885
US-20150374699-A1 NOVEL USES PDE2A, PDE5A, PDE3A PDE4A 6/4885PDE1A 13/4885PDE1B 21/4885
US-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE4A 9/4885PDE1A 13/4885PDE1B 22/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A PDE4A 8/4885PDE1A 10/4885PDE1B 17/4885
US-20210213018-A1 NOVEL USES PDE2A, PDE4A, PDE1A PDE4A 2/4885PDE1A 3/4885PDE1B 8/4885
US-11291666-B2 Uses PDE2A, PDE3A, PDE5A PDE4A 4/4885PDE1A 7/4885PDE1B 13/4885
US-20160083390-A1 ORGANIC COMPOUNDS TPMT, SULT1E1, UGT2B7 PDE4A 2122/4885PDE1A 4789/4885PDE1B 4794/4885
US-20140005155-A1 ORGANIC COMPOUNDS TPMT, SULT1E1, UGT2B7 PDE4A 2122/4885PDE1A 4789/4885PDE1B 4794/4885
US-20110245214-A1 ORGANIC COMPOUNDS CYP3A7, TPMT, UGT2B7 PDE4A 2270/4885PDE1A 4752/4885PDE1B 4738/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE4A 9/4885PDE1A 13/4885PDE1B 22/4885
US-20180177782-A9 NOVEL USES PDE2A, PDE5A, PDE3A PDE4A 6/4885PDE1A 13/4885PDE1B 21/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PDE4A 10/4885PDE1A 13/4885PDE1B 21/4885

“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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