Sugi Predict

Sugi Predict / Compounds / SCHEMBL3087912

SCHEMBL3087912

SCHEMBL3087912

Cc1nn(Cc2ccc(-c3nnco3)nc2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.39
▸ NSD2 O96028 1/20 0.36
▸ GRM2 Q14416 1/20 0.34
▸ CHEK1 O14757 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ MERTK Q12866 2/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ AXL P30530 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ SRC P12931 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
SCHEMBL3077217 0.90 AR (0.43) ARNSD2TLR8NOTUM
SCHEMBL3086015 0.88 AR (0.40) ARNSD2GRM2CYP11B1CYP11B2
SCHEMBL3076082 0.81 AR (0.45) ARNSD2CYP11B1CYP11B2
SCHEMBL3070070 0.81 AR (0.44) ARNSD2CYP11B1CYP11B2
SCHEMBL3076078 0.81 AR (0.44) ARNSD2CYP11B2
SCHEMBL3081376 0.80 AR (0.49) ARNSD2CYP11B1CYP11B2
SCHEMBL3082343 0.80 AR (0.39) ARNSD2GRM2CYP11B2SRC
SCHEMBL3070012 0.79 AR (0.50) ARNSD2CYP11B2
SCHEMBL3077429 0.79 AR (0.50) ARNSD2CYP11B2
SCHEMBL3075833 0.79 AR (0.44) ARNSD2FLT3MERTKAXL

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 9 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
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 1/4885NSD2 336/4885GRM2 858/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885NSD2 381/4885GRM2 850/4885

“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.