Sugi Predict

Sugi Predict / Compounds / SCHEMBL3758760

SCHEMBL3758760

SCHEMBL3758760

Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5[C@@H](O)CCCC5(F)F)c4)cnn3c2)cn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MARK3 P27448 18/20 0.74
▸ SGK1 O00141 3/20 0.68
▸ CHEK1 O14757 3/20 0.68
▸ MAPK13 O15264 3/20 0.68
▸ PDPK1 O15530 3/20 0.68
▸ NUAK1 O60285 3/20 0.68
▸ CCNT1 O60563 3/20 0.68
▸ JAK2 O60674 3/20 0.68
▸ ROCK2 O75116 3/20 0.68
▸ CHEK2 O96017 3/20 0.68
▸ RAF1 P04049 3/20 0.68
▸ NTRK1 P04629 3/20 0.68
▸ LCK P06239 3/20 0.68
▸ CSF1R P07333 3/20 0.68
▸ MET P08581 3/20 0.68
▸ HCK P08631 3/20 0.68
▸ PIM1 P11309 3/20 0.68
▸ SRC P12931 3/20 0.68
▸ BRAF P15056 3/20 0.68
▸ FGFR2 P21802 3/20 0.68

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
SCHEMBL3767397 0.87 MARK3 (0.78) MARK3SGK1CHEK1MAPK13PDPK1
SCHEMBL3760393 0.85 MARK3 (1.00) MARK3SGK1CHEK1MAPK13PDPK1
SCHEMBL16104553 0.85 MARK3 (1.00) MARK3SGK1CHEK1MAPK13PDPK1
SCHEMBL3771421 0.85 MARK3 (1.00) MARK3SGK1CHEK1MAPK13PDPK1
SCHEMBL3766678 0.85 MARK3 (1.00) MARK3SGK1CHEK1MAPK13PDPK1
SCHEMBL3766806 0.85 MARK3 (1.00) MARK3SGK1CHEK1MAPK13PDPK1
SCHEMBL3760407 0.85 MARK3 (1.00) MARK3SGK1CHEK1MAPK13PDPK1
SCHEMBL3766832 0.85 MARK3 (1.00) MARK3SGK1CHEK1MAPK13PDPK1
SCHEMBL3767396 0.83 MARK3 (0.80) MARK3SGK1CHEK1MAPK13PDPK1
SCHEMBL3761923 0.83 MARK3 (0.80) MARK3SGK1CHEK1MAPK13PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178375-B1 PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2014-09-24 — — EP disclosed
EP-2178375-B1 PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2014-09-24 — — EP disclosed
US-8461162-B2 Pyrazolo[1,5-a]pyrimidine derivatives MERCK SHARP & DOHME CORP. (US) 2013-06-11 — — US disclosed
US-8461162-B2 Pyrazolo[1,5-a]pyrimidine derivatives MERCK SHARP & DOHME CORP. (US) 2013-06-11 — — US disclosed
US-8461162-B2 Pyrazolo[1,5-a]pyrimidine derivatives MERCK SHARP & DOHME CORP. (US) 2013-06-11 — — US disclosed
US-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME LLC 2010-12-02 — — US disclosed
US-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME LLC 2010-12-02 — — US disclosed
US-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME LLC 2010-12-02 — — 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-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MAPT, TTBK1, TTBK2 MARK3 12/4885SGK1 351/4885CHEK1 329/4885

“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.