Sugi Predict

Sugi Predict / Compounds / SCHEMBL3081189

SCHEMBL3081189

SCHEMBL3081189

Cc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ FNTA P49354 6/20 0.42
▸ FNTB P49356 6/20 0.42
▸ PGGT1B P53609 6/20 0.42
▸ FAAH O00519 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 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
SCHEMBL3082069 0.91 MRGPRX4 (0.44) ARLMNAFNTAFNTBPGGT1B
SCHEMBL13309099 0.90 FNTA (0.43) ARGAALMNANPSR1FNTA
SCHEMBL3086122 0.90 AR (0.46) ARGAALMNAFNTAFNTB
SCHEMBL3081229 0.90 AR (0.50) ARGAALMNACYP1A2CYP3A4
SCHEMBL3083311 0.86 GRN (0.44) ARFNTAFNTBPGGT1BCYP1A2
SCHEMBL3079008 0.86 AR (0.47) ARGAALMNANPSR1CYP1A2
SCHEMBL3070091 0.86 AR (0.47) ARLMNATSHRPOLBKDM4E
SCHEMBL3063842 0.86 AR (0.48) ARGAANPSR1FNTAFNTB
SCHEMBL3086046 0.85 AR (0.46) ARGAAFNTAFNTBPGGT1B
SCHEMBL27815896 0.85 AR (0.46) ARGAALMNANPSR1CYP1A2

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 AR 1/4885GAA 4868/4885LMNA 4608/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885GAA 4868/4885LMNA 4607/4885

“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.