Sugi Predict

Sugi Predict / Compounds / SCHEMBL3069294

SCHEMBL3069294

SCHEMBL3069294

Cc1nn(Cc2ccc(C(N)=O)cc2)c(C)c1-c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 12/20 0.50
▸ RXRA P19793 1/20 0.47
▸ RXRB P28702 1/20 0.47
▸ RXRG P48443 1/20 0.47
▸ SLC2A1 P11166 1/20 0.43
▸ SLC2A3 P11169 1/20 0.43
▸ SLC2A4 P14672 1/20 0.43
▸ NSD2 O96028 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 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
SCHEMBL3082087 0.88 CYP11B2 (0.47) ARSLC2A1SLC2A3SLC2A4NSD2
SCHEMBL3077080 0.88 AR (0.46) ARRXRARXRBRXRGSLC2A1
SCHEMBL3081349 0.87 AR (0.57) ARPTGDR2
SCHEMBL3077533 0.86 AR (0.48) ARRXRARXRBRXRGNSD2
SCHEMBL3070032 0.86 AR (0.48) ARRXRARXRBRXRGSLC2A1
SCHEMBL3086693 0.85 AR (0.50) ARPTGDR2
SCHEMBL3063710 0.85 AR (0.46) ARNSD2PTGDR2
SCHEMBL3074160 0.82 AR (0.48) ARRXRARXRBRXRGSLC2A1
SCHEMBL3081391 0.82 AR (0.48) ARRXRARXRBRXRGSLC2A1
SCHEMBL3063670 0.81 AR (0.52) ARSLC2A1SLC2A3SLC2A4NSD2

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 AR 1/4885RXRA 1183/4885RXRB 988/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885RXRA 1180/4885RXRB 997/4885

“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.