Sugi Predict

Sugi Predict / Compounds / SCHEMBL8058077

SCHEMBL8058077

SCHEMBL8058077

Cc1ccc(-c2ccc(Cn3nc4c(c3Nc3ccccc3)C(=O)N(C)C3=N[C@@H]5CCC[C@@H]5N34)cc2)nc1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 20/20 0.86
▸ PDE5A O76074 5/20 0.82
▸ PDE3B Q13370 5/20 0.82
▸ PDE11A Q9HCR9 5/20 0.82
▸ PDE7B Q9NP56 5/20 0.82
▸ PDE10A Q9Y233 5/20 0.82
▸ PDE2A O00408 4/20 0.82
▸ PDE8A O60658 4/20 0.82
▸ PDE9A O76083 3/20 0.82
▸ PDE1B Q01064 1/20 0.69
▸ PDE4B Q07343 1/20 0.69
▸ PDE4C Q08493 1/20 0.69
▸ PDE4D Q08499 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
SCHEMBL8046139 0.93 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL10201366 0.92 PDE4A (0.92) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL17521214 0.91 PDE4A (0.87) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL10201367 0.90 PDE4A (0.86) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL772857 0.90 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL16899893 0.90 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL8046143 0.90 PDE4A (0.84) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL10201358 0.89 PDE4A (0.83) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL19134017 0.89 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL4920743 0.89 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B

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 29 patents — showing the first 20. 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-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-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-8829008-B2 Organic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-09 — — US disclosed
US-8273751-B2 Organic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 — — US disclosed
US-8273751-B2 Organic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 — — US disclosed
US-20120238589-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2012-09-20 — — US disclosed
US-20120238589-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2012-09-20 — — US disclosed
US-20120053190-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC 2012-03-01 — — US disclosed
US-20120053190-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC 2012-03-01 — — US disclosed
US-20100273754-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2010-10-28 — — US 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 44/4885PDE5A 14/4885PDE3B 31/4885
US-20120053190-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A PDE4A 2/4885PDE5A 1/4885PDE3B 7/4885
US-10183023-B2 Uses CNTN1, BDNF, SMPD1 PDE4A 44/4885PDE5A 14/4885PDE3B 31/4885
US-20170128453-A1 NOVEL USES BDNF, CNTN1, DCX PDE4A 27/4885PDE5A 28/4885PDE3B 53/4885
US-20100273754-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A7 PDE4A 734/4885PDE5A 406/4885PDE3B 165/4885
US-20190192519-A1 NOVEL USES BDNF, CNTN1, DCX PDE4A 27/4885PDE5A 28/4885PDE3B 53/4885
US-10010553-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE4A 2/4885PDE5A 1/4885PDE3B 7/4885
US-20120238589-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A7 PDE4A 734/4885PDE5A 406/4885PDE3B 165/4885
US-20200375994-A1 NOVEL USES BDNF, CNTN1, DCX PDE4A 27/4885PDE5A 28/4885PDE3B 53/4885
US-10238660-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE4A 2/4885PDE5A 1/4885PDE3B 7/4885

“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.