Sugi Predict

Sugi Predict / Compounds / SCHEMBL16044201

SCHEMBL16044201

SCHEMBL16044201

FC(F)Oc1ncc(Cc2cncnc2)cc1-c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 4/20 0.41
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ P2RX7 Q99572 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ DHFR P00374 1/20 0.34
▸ NUDT1 P36639 1/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ CTSA P10619 2/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL16045080 0.90 P2RX7 (0.44) PDE4BCYP11B1CYP11B2P2RX7GRIN1
SCHEMBL16044727 0.89 DHFR (0.45) PDE4BTDO2DHFRNUDT1
SCHEMBL16075879 0.89 PDE4B (0.41) PDE4BP2RX7TDO2DHFRNUDT1
SCHEMBL16075881 0.88 PDE4B (0.39) PDE4BCYP11B1CYP11B2P2RX7TDO2
SCHEMBL16044366 0.88 TAAR1 (0.39) PDE4BCYP11B1CYP11B2P2RX7TDO2
SCHEMBL16044306 0.87 PDE4B (0.39) PDE4BTDO2NUDT1CTSA
SCHEMBL16045869 0.87 PDE4B (0.39) PDE4BTDO2DHFRNUDT1LIMK1
SCHEMBL28045772 0.86 PDE4B (0.38) PDE4BP2RX7TDO2DHFRNUDT1
SCHEMBL28045724 0.86 PDE4B (0.42) PDE4BCYP11B1CYP11B2P2RX7TDO2
SCHEMBL16047543 0.86 PDE4B (0.39) PDE4BTDO2NUDT1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573937-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-02-21 — — US disclosed
US-20150329500-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-11-19 — — US disclosed
US-9120770-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-09-01 — — US disclosed
US-9040692-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-05-26 — — US disclosed
US-20140315913-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC 2014-10-23 — — US disclosed
US-20140275531-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC 2014-09-18 — — 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 (3 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-20150329500-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D PDE4B 2/4885CYP11B1 807/4885CYP11B2 1085/4885
US-20140315913-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D PDE4B 2/4885CYP11B1 807/4885CYP11B2 1085/4885
US-20140275531-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D PDE4B 2/4885CYP11B1 807/4885CYP11B2 1085/4885

“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.