Sugi Predict

Sugi Predict / Compounds / SCHEMBL360624

SCHEMBL360624

SCHEMBL360624

Cn1cc(-n2ccc(=O)c(COc3ccc4ncsc4c3)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ PDE10A Q9Y233 5/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ WNT1 P04628 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ TGFBR1 P36897 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ FGFR2 P21802 2/20 0.33
▸ FGFR3 P22607 2/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ RIPK3 Q9Y572 1/20 0.33
▸ FGFR4 P22455 1/20 0.32
▸ DYRK3 O43781 1/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ CLK3 P49761 1/20 0.32
▸ DYRK2 Q92630 1/20 0.32

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
SCHEMBL14915754 0.84 PDE10A (0.38) PDE10AGSK3BDYRK1AWNT1FGFR1
SCHEMBL14930551 0.82 ALDH1A1 (0.38) ALDH1A1PKMNPC1RAB9AKDM4E
SCHEMBL14916586 0.82 CYP3A4 (0.38) PDE10AALDH1A1PKMNPC1RAB9A
SCHEMBL359456 0.81 FGFR1 (0.36) PDE10APKMFGFR1FGFR2FGFR3
SCHEMBL358857 0.81 MET (0.38) PDE10A
SCHEMBL178094 0.81 MET (0.44) FGFR1FGFR3
SCHEMBL162668 0.81 MET (0.43) PDE10ADYRK1AALDH1A1DYRK1BRAB9A
SCHEMBL360598 0.81 PDE10A (0.38) PDE10AFGFR1FGFR3
SCHEMBL361506 0.81 PDE10A (0.42) PDE10AFGFR1FGFR2FGFR3FGFR4
SCHEMBL359481 0.81 EGFR (0.41) PDE10AFGFR1FGFR2FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 — — EP claimed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 — — US claimed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 — — WO claimed
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 — — EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 — — US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 — — US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 — — US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 — — WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 — — 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 (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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET IRAK4 546/4885PDE10A 3303/4885GSK3B 385/4885

“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.