Sugi Predict

Sugi Predict / Compounds / SCHEMBL3089368

SCHEMBL3089368

SCHEMBL3089368

Cc1nn(Cc2cnn(C)c2-c2ccccc2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.42
▸ RET P07949 1/20 0.38
▸ NSD2 O96028 1/20 0.37
▸ PGR P06401 4/20 0.35
▸ GAA P10253 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ EGLN2 Q96KS0 1/20 0.34
▸ CYP2C19 P33261 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL3083430 0.84 AR (0.47) ARRETGAAMEN1KMT2A
SCHEMBL3063842 0.83 AR (0.48) ARNSD2GAAKDM4ECYP2C19
SCHEMBL3082085 0.83 AR (0.48) ARNSD2PGRGAAMEN1
SCHEMBL3081229 0.83 AR (0.50) ARNSD2GAAKDM4ECYP2C19
SCHEMBL3076247 0.81 AR (0.42) ARRETNSD2GAAMEN1
SCHEMBL3075351 0.81 AR (0.47) ARPGRGAAMEN1KMT2A
SCHEMBL3083303 0.80 AR (0.42) ARNSD2GAAMEN1KMT2A
SCHEMBL3084012 0.79 AR (0.45) ARNSD2PGRGAAMEN1
SCHEMBL3069848 0.79 AR (0.47) ARGAAMEN1KMT2ANPSR1
SCHEMBL27815896 0.78 AR (0.46) ARNSD2GAAMEN1KMT2A

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 1/4885RET 520/4885NSD2 336/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885RET 524/4885NSD2 381/4885

“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.