Sugi Predict

Sugi Predict / Compounds / SCHEMBL2019587

SCHEMBL2019587

SCHEMBL2019587

COC(Cc1ncccc1C#N)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ NPC1 O15118 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ DRD2 P14416 3/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35

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
SCHEMBL20279348 0.79 ALDH1A1 (0.38) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20279341 0.79 ALDH1A1 (0.38) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL846285 0.78 KLKB1 (0.42) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25198363 0.75 ALDH1A1 (0.53) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3791629 0.75 HPGD (0.51) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30496159 0.75 ALDH1A1 (0.53) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11373605 0.75 HPGD (0.54) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20278786 0.73 ALDH1A1 (0.36) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7213726 0.73 HPGD (0.49) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17002573 0.73 SLC6A2 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570156-B2 Substituted imidazo[1,2-a]pyridines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2020-02-25 — — US disclosed
US-10570156-B2 Substituted imidazo[1,2-a]pyridines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2020-02-25 — — US disclosed
EP-3210984-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-06-19 — — EP disclosed
EP-3210984-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-06-19 — — EP disclosed
US-20180072759-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2018-03-15 — — US disclosed
US-20180072759-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2018-03-15 — — US disclosed
US-20180072759-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2018-03-15 — — US disclosed
US-9856274-B2 Substituted pyrazolo[1,5-a]pyridines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-01-02 — — US disclosed
US-9856274-B2 Substituted pyrazolo[1,5-a]pyridines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-01-02 — — US disclosed
EP-3210984-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2017-08-30 — — EP disclosed
US-20120178748-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-12 — — US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 — — US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 — — US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 — — EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 — — US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 — — EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 — — WO disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 — — EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 — — US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 — — 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 (6 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 HPGD 3704/4885ALDH1A1 2723/4885NPC1 37/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 HPGD 3704/4885ALDH1A1 2723/4885NPC1 37/4885
US-20120178748-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN HPGD 1832/4885ALDH1A1 560/4885NPC1 458/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 HPGD 3704/4885ALDH1A1 2723/4885NPC1 37/4885
US-20180072759-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN HPGD 1832/4885ALDH1A1 560/4885NPC1 458/4885
US-10570156-B2 Substituted imidazo[1,2-a]pyridines as PDE-10 inhibitors PDE3A, PDE2A, PDE5A HPGD 232/4885ALDH1A1 192/4885NPC1 1239/4885

“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.