Sugi Predict

Sugi Predict / Compounds / SCHEMBL3070089

SCHEMBL3070089

SCHEMBL3070089

Cc1nn(Cc2ccc(-c3cccs3)s2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.41
▸ DPP4 P27487 3/20 0.36
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ LTA4H P09960 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL3082391 0.87 AR (0.46) ARHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL3070146 0.84 AR (0.41) ARTSHRNSD2TP53CYP11B2
SCHEMBL3083239 0.84 AR (0.41) ARNSD2CYP11B2L3MBTL1MAPT
SCHEMBL3074241 0.82 RAB9A (0.40) ARDPP4HTTALDH1A1SMN1; SMN2
SCHEMBL3086097 0.79 AR (0.45) ARALDH1A1LMNAMAPK1NSD2
SCHEMBL3063738 0.79 AR (0.45) ARALDH1A1NSD2CYP11B2
SCHEMBL3077479 0.78 AR (0.43) ARNSD2CYP11B2
SCHEMBL3081229 0.78 AR (0.50) ARALDH1A1POLBTSHRLMNA
SCHEMBL3082323 0.77 AR (0.42) ARNSD2CYP11B2
SCHEMBL13309136 0.77 L3MBTL1 (0.45) ARHTTALDH1A1SMN1; 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 7 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
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 AR 1/4885DPP4 4209/4885HTT 4633/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885DPP4 4260/4885HTT 4624/4885

“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.