SCHEMBL4015596

SCHEMBL4015596

O=C(O)Nc1ccc(Cl)c(NC(=O)Nc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.63
KMT2A Q03164 12/20 0.63
MAPT P10636 11/20 0.63
NPC1 O15118 10/20 0.63
RAB9A P51151 9/20 0.63
GAA P10253 3/20 0.63
NPSR1 Q6W5P4 3/20 0.63
KDM4E B2RXH2 2/20 0.63
POLB P06746 2/20 0.63
MAPK1 P28482 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
LMNA P02545 9/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
HTT P42858 4/20 0.59
ALDH1A1 P00352 1/20 0.57
NFKB1 P19838 1/20 0.57
GFER P55789 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
CASP3 P42574 1/20 0.55

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
SCHEMBL7980937 0.82 EPHX1 (0.81) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3460837 0.81 CA12 (0.62) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4299453 0.81 MEN1 (0.54) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1700678 0.80 MEN1 (0.87) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3460836 0.79 MEN1 (0.56) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL13104614 0.79 MAPT (0.68) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4020245 0.78 KMT2A (0.72) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5881079 0.78 MEN1 (0.55) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL13613542 0.78 KDR (0.69) MEN1KMT2AMAPTRAB9AGAA
SCHEMBL8208060 0.78 MEN1 (0.77) MEN1KMT2AMAPTNPC1RAB9A

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 2 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
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 MEN1 3321/4885KMT2A 844/4885MAPT 758/4885

“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.