Sugi Predict

Sugi Predict / Compounds / SCHEMBL2119987

SCHEMBL2119987

SCHEMBL2119987

Cn1c(=N)c2c(Nc3ccccc3)n(Cc3ccc(-n4cncn4)cc3)nc2n(CC(C)(C)C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 3/20 0.42
▸ PDE1A P54750 1/20 0.42
▸ PDE1C Q14123 1/20 0.42
▸ PDE2A O00408 3/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ PDE4A P27815 11/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ CYP11B2 P19099 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ PDE8A O60658 2/20 0.30
▸ PDE5A O76074 2/20 0.30
▸ PDE3B Q13370 2/20 0.30
▸ PDE11A Q9HCR9 2/20 0.30
▸ PDE7B Q9NP56 2/20 0.30
▸ PDE10A Q9Y233 2/20 0.30
▸ PDE9A O76083 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30

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
SCHEMBL2120812 0.92 PDE1B (0.50) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL2122099 0.91 PDE1B (0.42) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL19522689 0.81 PDE1B (0.43) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3011746 0.81 PDE1B (0.64) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL8051665 0.80 PDE1B (0.65) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL676325 0.77 DPP4 (0.37) PDE1BPDE1APDE1CPDE2ADPP4
SCHEMBL2620656 0.76 PDE1B (0.41) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL18349195 0.76 PDE1B (0.50) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL676509 0.76 DPP4 (0.39) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL674792 0.75 DPP4 (0.38) PDE1BPDE1APDE1CPDE2APDE4D

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-20200289518-A1 METHOD FOR TREATING BRAIN OR NERVE INJURY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-09-17 — — 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
US-9801882-B2 Phosphodiesterase-1 inhibitors and their use in treatment of cardiovascular diseases INTRA-CELLULAR THERAPIES, INC. (US) 2017-10-31 — — US disclosed
US-9801882-B2 Phosphodiesterase-1 inhibitors and their use in treatment of cardiovascular diseases INTRA-CELLULAR THERAPIES, INC. (US) 2017-10-31 — — 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
EP-2367431-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2015-08-05 — — EP disclosed
EP-2367431-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2015-08-05 — — EP disclosed
US-20140315868-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2014-10-23 — — US disclosed
US-20140315868-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2014-10-23 — — US disclosed
US-20140315868-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2014-10-23 — — US disclosed
US-8697710-B2 Optionally substituted 3-amino-4-(thioxo or imino)-4,5-dihydro-2H-pyrazolo [3,4-d]pyrimidin-6(7H)-ones INTRA-CELLULAR THERAPIES, INC. (US) 2014-04-15 — — US disclosed
US-20120094966-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2012-04-19 — — US disclosed
US-20120094966-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2012-04-19 — — US disclosed
US-20120094966-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2012-04-19 — — US disclosed
WO-2010065153-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-06-10 — — WO disclosed
WO-2010065153-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-06-10 — — 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 (7 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 PDE1B 21/4885PDE1A 13/4885PDE1C 23/4885
US-20200289518-A1 METHOD FOR TREATING BRAIN OR NERVE INJURY GAP43, NGF, CHAT PDE1B 1519/4885PDE1A 1787/4885PDE1C 1860/4885
US-20150374699-A1 NOVEL USES PDE2A, PDE5A, PDE3A PDE1B 21/4885PDE1A 13/4885PDE1C 23/4885
US-20140315868-A1 ORGANIC COMPOUNDS TPMT, CYP4X1, P2RX4 PDE1B 4847/4885PDE1A 4868/4885PDE1C 4824/4885
US-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE1B 22/4885PDE1A 13/4885PDE1C 14/4885
US-20120094966-A1 ORGANIC COMPOUNDS TPMT, CYP4X1, P2RX4 PDE1B 4847/4885PDE1A 4868/4885PDE1C 4824/4885
US-20180177782-A9 NOVEL USES PDE2A, PDE5A, PDE3A PDE1B 21/4885PDE1A 13/4885PDE1C 23/4885

“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.