Sugi Predict

Sugi Predict / Compounds / SCHEMBL3089228

SCHEMBL3089228

SCHEMBL3089228

COc1cc(Cl)ccc1Cn1nc(C)c(-c2ccc(C#N)c(Cl)c2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.38
▸ HTT P42858 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FPR2 P25090 4/20 0.36
▸ PROKR1 Q8TCW9 4/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HPGD P15428 3/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ PRKCQ Q04759 1/20 0.34

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
SCHEMBL3077664 0.91 AR (0.45) ARKDM4EALDH1A1LMNANPSR1
SCHEMBL3075351 0.89 AR (0.47) ARKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3085319 0.89 LMNA (0.47) ARKDM4EHTTALDH1A1JAK2
SCHEMBL3075150 0.88 AR (0.47) ARKDM4EHTTALDH1A1JAK2
SCHEMBL3077518 0.86 AR (0.47) ARKDM4EHTTALDH1A1JAK2
SCHEMBL3081338 0.85 AR (0.43) ARKDM4ENPSR1KMT2AMEN1
SCHEMBL3087435 0.84 AR (0.45) ARKDM4EALDH1A1LMNARAB9A
SCHEMBL3083220 0.84 AR (0.42) ARKDM4EALDH1A1TP53NPSR1
SCHEMBL3070012 0.83 AR (0.50) ARKDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL3069287 0.83 KDM4E (0.45) ARKDM4EALDH1A1LMNATP53

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 1/4885KDM4E 1414/4885HTT 4633/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885KDM4E 1440/4885HTT 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.