SCHEMBL4015709

SCHEMBL4015709

O=C(O)Nc1cc(Br)ccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ GRIK1 P39086 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KCNK2 O95069 2/20 0.42
▸ KCNK10 P57789 2/20 0.42
▸ HTT P42858 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MPO P05164 1/20 0.40
▸ XPO1 O14980 1/20 0.39
▸ TMPRSS4 Q9NRS4 2/20 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
SCHEMBL16096500 0.81 TGM2 (0.50) HDAC1HDAC8HDAC6GRIK1SMN1; SMN2
SCHEMBL28093557 0.79 GRIK1 (0.42) HDAC1HDAC8HDAC6GRIK1SMN1; SMN2
SCHEMBL20357210 0.79 HTT (0.62) HDAC1HDAC8HDAC6GRIK1SMN1; SMN2
SCHEMBL14053110 0.77 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL17498094 0.77 NPC1 (0.49) HDAC1HDAC8HDAC6SMN1; SMN2ALDH1A1
SCHEMBL1726652 0.76 HDAC1 (0.43) HDAC1HDAC8HDAC6GRIK1ALDH1A1
SCHEMBL1727024 0.76 TRPV4 (0.44) HDAC1HDAC8HDAC6ALDH1A1TSHR
SCHEMBL28093556 0.75 L3MBTL1 (0.39) HDAC1HDAC8HDAC6GRIK1SMN1; SMN2
SCHEMBL1008398 0.74 POLB (0.63) GRIK1SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL22749629 0.74 ALDH1A1 (0.51) HDAC1HDAC8HDAC6SMN1; SMN2ALDH1A1

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 HDAC1 403/4885HDAC8 890/4885HDAC6 773/4885

“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.

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