Sugi Predict

Sugi Predict / Compounds / SCHEMBL3070135

SCHEMBL3070135

SCHEMBL3070135

Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ AR P10275 3/20 0.45
▸ POLB P06746 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ NPBWR1 P48145 1/20 0.39
▸ ABHD6 Q9BV23 1/20 0.39
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ PTGDR2 Q9Y5Y4 3/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TEC P42680 1/20 0.38
▸ TXK P42681 1/20 0.38
▸ BMX P51813 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ KCNK3 O14649 1/20 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
SCHEMBL3076403 0.91 AR (0.47) ARPTGDR2
SCHEMBL13308397 0.90 POLB (0.43) HTTL3MBTL1ARPOLBABHD6
SCHEMBL3069365 0.90 AR (0.48) ARPTGDR2
SCHEMBL3085333 0.89 AR (0.42) HTTL3MBTL1ARPOLB
SCHEMBL3086188 0.87 AR (0.53) HTTARP2RX7
SCHEMBL3070091 0.87 AR (0.47) HTTARPOLBPGRMAPT
SCHEMBL3079008 0.87 AR (0.47) HTTARPOLBNPBWR1MAPT
SCHEMBL3081229 0.86 AR (0.50) ARPOLBGAA
SCHEMBL3086046 0.86 AR (0.46) ARPOLBGRIN1GRIN2BPTGDR2
SCHEMBL3086122 0.83 AR (0.46) HTTARPGRP2RX7GAA

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
CN-101842357-A Substituted pyrazole derivatives TAKEDA PHARMACEUTICAL 2010-09-22 — — CN 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
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 HTT 4633/4885L3MBTL1 4174/4885AR 1/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 HTT 4624/4885L3MBTL1 4199/4885AR 1/4885

“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.