Sugi Predict

Sugi Predict / Compounds / SCHEMBL4305366

SCHEMBL4305366

SCHEMBL4305366

CC(C)Nc1cc(N)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GSK3B P49841 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 1/20 0.36

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
SCHEMBL8359924 0.79 RAPGEF4 (0.47) CYP3A4TSHRHSD17B10ALDH1A1GAA
SCHEMBL9404760 0.79 CA1 (0.45) CYP3A4TSHRHSD17B10MAPK1ALDH1A1
SCHEMBL15928730 0.78 ALDH1A1 (0.48) CYP3A4TSHRGSK3BALDH1A1GAA
SCHEMBL3790150 0.77 CYP3A4 (0.52) CYP3A4TSHRHSD17B10MAPK1ALDH1A1
SCHEMBL19381672 0.76 ALOX5 (0.50) CYP3A4TSHRGSK3BHSD17B10MAPK1
SCHEMBL30374051 0.76 NR4A2 (0.38) ALDH1A1GAAHTTNR4A2MEN1
SCHEMBL13570582 0.76 CSNK2A1 (0.47) KDM4ENR4A2HPGD
SCHEMBL3958074 0.76 CYP3A4 (0.57) CYP3A4TSHRALDH1A1GAAALOX15
SCHEMBL8370672 0.73 ALDH1A1 (0.48) CYP3A4TSHRGSK3BALDH1A1GAA
SCHEMBL13570548 0.73 TOP2A (0.54) ALDH1A1KDM4ECA1CA2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 — — US disclosed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 — — US disclosed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 — — US disclosed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 — — WO 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 (1 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 CYP3A4 3067/4885TSHR 2947/4885GSK3B 356/4885

“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.