Sugi Predict

Sugi Predict / Compounds / SCHEMBL3074086

SCHEMBL3074086

SCHEMBL3074086

CCOC(=O)c1csc(Cn2nc(C)c(-c3ccc(C#N)c(Cl)c3)c2C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ AR P10275 5/20 0.43
▸ HSP90AA1 P07900 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GAA P10253 2/20 0.37

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
SCHEMBL3078791 0.90 RAB9A (0.46) RAB9ANPC1MAPTARALDH1A1
SCHEMBL3080699 0.89 AR (0.45) AR
SCHEMBL3076797 0.89 AR (0.45) AR
SCHEMBL3089374 0.88 AR (0.44) AR
SCHEMBL3088656 0.87 AR (0.49) RAB9ANPC1ARGAA
SCHEMBL3075762 0.87 AR (0.43) AR
SCHEMBL3069269 0.86 ALDH1A1 (0.52) RAB9ANPC1MAPTARHSP90AA1
SCHEMBL3086088 0.83 AR (0.44) ARCYP11B2
SCHEMBL3063786 0.81 AR (0.41) AR
SCHEMBL3074071 0.80 ALDH1A1 (0.50) RAB9ANPC1MAPTARHSP90AA1

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
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 — — EP disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 — — EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — 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 (2 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 RAB9A 3991/4885NPC1 3296/4885MAPT 4236/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 RAB9A 4009/4885NPC1 3273/4885MAPT 4248/4885

“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.