Sugi Predict

Sugi Predict / Compounds / SCHEMBL8064393

SCHEMBL8064393

SCHEMBL8064393

CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2Nc2ccccc2O)N2C1=N[C@@H]1CCC[C@@H]12

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 19/20 0.82
▸ PDE1B Q01064 2/20 0.79
▸ PDE2A O00408 1/20 0.79
▸ PDE8A O60658 1/20 0.79
▸ PDE5A O76074 1/20 0.79
▸ PDE9A O76083 1/20 0.79
▸ PDE4B Q07343 1/20 0.79
▸ PDE4C Q08493 1/20 0.79
▸ PDE4D Q08499 1/20 0.79
▸ PDE3B Q13370 1/20 0.79
▸ PDE11A Q9HCR9 1/20 0.79
▸ PDE7B Q9NP56 1/20 0.79
▸ PDE10A Q9Y233 1/20 0.79
▸ PDE1A P54750 1/20 0.69

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
SCHEMBL10201379 0.92 PDE4A (0.69) PDE4APDE1BPDE2APDE8APDE5A
Lenrispodun SCHEMBL18771113 0.90 PDE4A (1.00) PDE4APDE1BPDE2APDE8APDE5A
Lenrispodun SCHEMBL29415040 0.90 PDE4A (1.00) PDE4APDE1BPDE2APDE8APDE5A
Lenrispodun SCHEMBL18211963 0.90 PDE4A (1.00) PDE4APDE1BPDE2APDE8APDE5A
Lenrispodun SCHEMBL16324627 0.90 PDE4A (1.00) PDE4APDE1BPDE2APDE8APDE5A
Lenrispodun SCHEMBL10201342 0.90 PDE4A (1.00) PDE4APDE1BPDE2APDE8APDE5A
SCHEMBL23082925 0.89 PDE4A (0.88) PDE4APDE1BPDE2APDE8APDE5A
SCHEMBL8060473 0.89 PDE4A (0.88) PDE4APDE1BPDE2APDE8APDE5A
SCHEMBL20341393 0.88 PDE4A (0.97) PDE4APDE1BPDE2APDE8APDE5A
Lenrispodun SCHEMBL21225678 0.88 PDE4A (1.00) PDE4APDE1BPDE2APDE8APDE5A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200375994-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2020-12-03 — — US disclosed
US-10682355-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2020-06-16 — — US disclosed
US-20190192519-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2019-06-27 — — US disclosed
US-10238660-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2019-03-26 — — US disclosed
US-10183023-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2019-01-22 — — US disclosed
US-10010553-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-07-03 — — US disclosed
US-20170128453-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2017-05-11 — — US disclosed
US-9545406-B2 Method of treating a CNS injury with a PDE1 inhibitor INTRA-CELLULAR THERAPIES, INC. (US) 2017-01-17 — — US disclosed
US-9468637-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-10-18 — — US disclosed
US-9403836-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-08-02 — — US disclosed
US-9403836-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-08-02 — — US disclosed
EP-2939676-A1 Organic compounds Intra-Cellular Therapies, Inc. (US) 2015-11-04 — — EP disclosed
US-20140357606-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2014-12-04 — — US disclosed
US-8829008-B2 Organic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-09 — — US disclosed
EP-2698160-A2 Organic compounds Takeda Pharmaceutical Company Limited (JP) 2014-02-19 — — EP disclosed
US-8273751-B2 Organic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 — — US disclosed
US-20120053190-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC 2012-03-01 — — US disclosed
WO-2010132127-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-11-18 — — WO disclosed
US-20100273754-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2010-10-28 — — US disclosed
WO-2009075784-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2009-06-18 — — 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-10682355-B2 Uses CNTN1, BDNF, SMPD1 PDE4A 44/4885PDE1B 52/4885PDE2A 9/4885
US-20120053190-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A PDE4A 2/4885PDE1B 27/4885PDE2A 4/4885
US-10183023-B2 Uses CNTN1, BDNF, SMPD1 PDE4A 44/4885PDE1B 52/4885PDE2A 9/4885
US-20170128453-A1 NOVEL USES BDNF, CNTN1, DCX PDE4A 27/4885PDE1B 15/4885PDE2A 14/4885
US-20100273754-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A7 PDE4A 734/4885PDE1B 4532/4885PDE2A 358/4885
US-20140357606-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A7 PDE4A 734/4885PDE1B 4532/4885PDE2A 358/4885
US-20190192519-A1 NOVEL USES BDNF, CNTN1, DCX PDE4A 27/4885PDE1B 15/4885PDE2A 14/4885
US-10010553-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE4A 2/4885PDE1B 27/4885PDE2A 4/4885
US-20200375994-A1 NOVEL USES BDNF, CNTN1, DCX PDE4A 27/4885PDE1B 15/4885PDE2A 14/4885
US-10238660-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE4A 2/4885PDE1B 27/4885PDE2A 4/4885

“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.

Send feedback