Sugi Predict

Sugi Predict / Compounds / SCHEMBL4070659

SCHEMBL4070659

SCHEMBL4070659

O=c1[nH]nc2c3cc4ccccc4cc3c(-c3ccc(CN4CCOCC4)cc3)cn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.46
▸ JAK2 O60674 2/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ AKT1 P31749 1/20 0.42
▸ AKT2 P31751 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ TGFBR1 P36897 2/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ TNKS O95271 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ AXL P30530 1/20 0.41
▸ TYRO3 Q06418 1/20 0.41
▸ MERTK Q12866 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL4243175 0.90 PSMB8 (0.45) CHEK1PARP1ALDH1A1HPGDHSD17B10
SCHEMBL4241887 0.81 LTK (0.41) CHEK1AKT1AKT2KCNH2TYRO3
SCHEMBL4236081 0.80 ADORA2A (0.40) CHEK1HRH3PARP1ALDH1A1HPGD
SCHEMBL4060549 0.76 MAPK9 (0.46) CHEK1AKT1AKT2TYRO3GSK3A
SCHEMBL4065325 0.73 LTK (0.39) CHEK1AKT1AKT2TYRO3GSK3A
SCHEMBL4239547 0.72 LTK (0.40) CHEK1AKT1AKT2TYRO3
SCHEMBL4071816 0.71 BRD4 (0.45) CHEK1AKT1AKT2TYRO3GSK3B
SCHEMBL4064954 0.71 GSK3A (0.38) CHEK1AKT1AKT2GSK3AGSK3B
SCHEMBL4237750 0.69 TP53 (0.40) NPC1RAB9APARP1TYRO3KMT2A
SCHEMBL4504820 0.67 PDE5A (0.48) CHEK1AKT1AKT2PARP1TYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501435-B2 Inhibitors of checkpoint kinases MERCK & CO., INC. (US) 2009-03-10 — — US claimed
US-20070254879-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2007-11-01 — — US claimed
US-7501435-B2 Inhibitors of checkpoint kinases MERCK & CO., INC. (US) 2009-03-10 — — US disclosed
US-7501435-B2 Inhibitors of checkpoint kinases MERCK & CO., INC. (US) 2009-03-10 — — US disclosed
US-7501435-B2 Inhibitors of checkpoint kinases MERCK & CO., INC. (US) 2009-03-10 — — US disclosed
EP-2013212-A1 TRIAZOLOQUINAZOLINONE DERIVATIVES AS INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2009-01-14 — — EP disclosed
WO-2007127138-A1 TRIAZOLOQUINAZOLINONE DERIVATIVES AS INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-11-08 — — WO disclosed
US-20070254879-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2007-11-01 — — US disclosed
US-20070254879-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2007-11-01 — — US disclosed
US-20070254879-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2007-11-01 — — 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 (1 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-20070254879-A1 Inhibitors of checkpoint kinases CHEK1, CHEK2, PLK1 CHEK1 1/4885JAK2 979/4885NPC1 4036/4885

“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.