Sugi Predict

Sugi Predict / Compounds / SCHEMBL4298970

SCHEMBL4298970

SCHEMBL4298970

Nc1ccc(Cl)c(N2CCCC2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ADRA1B P35368 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL78187 0.87 ALDH1A1 (0.57) HSD17B10ALDH1A1POLBKMT2AMAPK1
SCHEMBL30168172 0.87 ALDH1A1 (0.57) HSD17B10ALDH1A1POLBKMT2AMAPK1
SCHEMBL22816934 0.82 ALDH1A1 (0.60) HSD17B10ALDH1A1POLBKMT2AMAPK1
SCHEMBL19002852 0.82 HSD17B10 (0.50) HSD17B10ALDH1A1KMT2AFFAR1FFAR4
SCHEMBL17979899 0.80 HSD17B10 (0.59) HSD17B10ALDH1A1KMT2AMAPK1KDM4E
SCHEMBL1937361 0.80 PARP1 (0.51) HSD17B10ALDH1A1KMT2AMAPK1KDM4E
SCHEMBL76529 0.79 MAPK1 (0.51) HSD17B10ALDH1A1KMT2AMAPK1KDM4E
SCHEMBL19049642 0.78 HSD17B10 (0.43) HSD17B10ALDH1A1FFAR1FFAR4MAPT
SCHEMBL18997973 0.78 HSD17B10 (0.43) HSD17B10ALDH1A1FFAR1FFAR4KDM4E
SCHEMBL11181693 0.78 HSD17B10 (0.53) HSD17B10ALDH1A1POLBKMT2AMAPK1

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 HSD17B10 4303/4885ALDH1A1 4322/4885POLB 1720/4885

“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.