SCHEMBL4017962

SCHEMBL4017962

COC(=O)Oc1cc(N)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
GAA P10253 3/20 0.46
CASP1 P29466 3/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NR4A1 P22736 1/20 0.41
ACHE P22303 2/20 0.41
MAPT P10636 4/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
JAK2 O60674 1/20 0.40
ALOX5 P09917 1/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL5711904 0.85 ALDH1A1 (0.53) ALDH1A1GAATSHRKDM4EHPGD
SCHEMBL28274919 0.83 CYP1A2 (0.46) ALDH1A1GAACASP1TSHRKDM4E
SCHEMBL21991471 0.81 SMN1; SMN2 (0.51) GAATSHRKDM4EHPGDHSD17B10
SCHEMBL1469593 0.81 ACHE (0.59) ALDH1A1GAACASP1TSHRKDM4E
SCHEMBL27631947 0.81 ALDH1A1 (0.45) ALDH1A1GAACASP1TSHRKDM4E
SCHEMBL14448663 0.79 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL10440323 0.78 ALDH2 (0.44) ALDH1A1GAACASP1TSHRKDM4E
SCHEMBL23712620 0.77 ALDH1A1 (0.42) ALDH1A1GAACASP1TSHRNR4A1
SCHEMBL2570861 0.76 KDM4E (0.41) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL2565988 0.76 KDM4E (0.41) ALDH1A1GAAKDM4EHPGDHSD17B10

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 4322/4885GAA 3207/4885CASP1 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.