Sugi Predict

Sugi Predict / Compounds / SCHEMBL3081964

SCHEMBL3081964

SCHEMBL3081964

Cc1nn(Cc2ccc(CN(C)C)o2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.44
▸ NSD2 O96028 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ MERTK Q12866 2/20 0.34
▸ CYP11B2 P19099 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PGR P06401 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL3080587 0.82 HTT (0.47) ARALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL3070141 0.82 ALDH1A1 (0.45) ARALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL3083288 0.81 AR (0.47) ARNSD2ALDH1A1KMT2AL3MBTL1
SCHEMBL3070012 0.81 AR (0.50) ARNSD2ALDH1A1KMT2ACYP11B2
SCHEMBL3070098 0.80 MAPT (0.48) ARALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL3074071 0.79 ALDH1A1 (0.50) ARALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL3075833 0.79 AR (0.44) ARNSD2ALDH1A1FLT3MERTK
SCHEMBL3077429 0.79 AR (0.50) ARNSD2ALDH1A1KMT2ACYP11B2
SCHEMBL3081229 0.79 AR (0.50) ARNSD2ALDH1A1LMNAKDM4E
SCHEMBL3076734 0.79 AR (0.50) ARNSD2ALDH1A1KMT2ACYP11B2

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
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 336/4885ALDH1A1 809/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885NSD2 381/4885ALDH1A1 816/4885

“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.