Sugi Predict

Sugi Predict / Compounds / SCHEMBL4014556

SCHEMBL4014556

SCHEMBL4014556

Cc1ccc(N)cc1N1CCOC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ MAPT P10636 5/20 0.46
▸ CASP1 P29466 5/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.45
▸ KMT2A Q03164 4/20 0.39
▸ GAA P10253 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ THRB P10828 2/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ PTK2B Q14289 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ BRPF1 P55201 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ TSHR P16473 3/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL5388815 0.87 MAPT (0.50) ALDH1A1MAPTCASP1KDM4ELMNA
SCHEMBL10094732 0.83 P2RX7 (0.48) HSD17B10PARP1
SCHEMBL11994369 0.80 IDH1 (0.41) KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL18608889 0.79 P2RX7 (0.47) ALDH1A1KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL11488055 0.79 HSD17B10 (0.41) ALDH1A1MAPTHSD17B10KMT2AGAA
SCHEMBL76885 0.78 ALDH1A1 (0.51) ALDH1A1MAPTCASP1KDM4ELMNA
SCHEMBL19308380 0.78 ATAD2 (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL4543332 0.78 DDB1 (0.50) MAPTKMT2AMEN1CA1
SCHEMBL4013521 0.78 CYP3A4 (0.46) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL5652989 0.77 MAPT (0.45) ALDH1A1MAPTKDM4ELMNASMN1; SMN2

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 5 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
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 ALDH1A1 4322/4885MAPT 758/4885CASP1 508/4885

“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.