Sugi Predict

Sugi Predict / Compounds / SCHEMBL3069313

SCHEMBL3069313

SCHEMBL3069313

Cc1nn(-c2ccccc2)nc1Cn1nc(C)c(-c2ccc(C#N)c(Cl)c2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 11/20 0.46
▸ PIK3CD O00329 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ HCK P08631 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ EPHB4 P54760 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ NSD2 O96028 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ MAP3K14 Q99558 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ POLB P06746 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
SCHEMBL3081229 0.85 AR (0.50) ARNSD2TSHRPOLBLMNA
SCHEMBL3063842 0.83 AR (0.48) ARNSD2TSHRPOLBCYP3A4
SCHEMBL3081311 0.82 AR (0.42) ARNSD2TSHRMAP3K14POLB
SCHEMBL3082085 0.81 AR (0.48) ARNSD2MEN1KMT2ACYP11B2
SCHEMBL27815896 0.81 AR (0.46) ARNSD2TSHRMEN1POLB
SCHEMBL3083430 0.80 AR (0.47) ARMEN1HCRTR1POLBKMT2A
SCHEMBL27815970 0.80 AR (0.45) ARNSD2TSHRMAP3K14POLB
SCHEMBL3070091 0.79 AR (0.47) ARNSD2TSHRMEN1POLB
SCHEMBL3077429 0.79 AR (0.50) ARNSD2MEN1POLBKMT2A
SCHEMBL3076734 0.79 AR (0.50) ARNSD2TSHRKMT2ACYP11B2

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 1/4885PIK3CD 3672/4885ABL1 2587/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885PIK3CD 3614/4885ABL1 2576/4885

“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.