SCHEMBL1257320

SCHEMBL1257320

Nc1ccc(-c2cnc(CN3CCOCC3)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
CD274 Q9NZQ7 1/20 0.45
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
PIK3CA P42336 3/20 0.43
MTOR P42345 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PIK3R1 P27986 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
JAK2 O60674 1/20 0.43
LRRK2 Q5S007 2/20 0.42

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
SCHEMBL21550776 0.85 HRH3 (0.51) HRH3KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL13156073 0.84 SMN1; SMN2 (0.46) HRH3KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL21565656 0.82 HRH3 (0.51) HRH3ALOX5APFEN1PIK3CASMN1; SMN2
SCHEMBL1256927 0.80 LRRK2 (0.49) HRH3ALOX5APFEN1HSD17B10JAK2
SCHEMBL1256928 0.79 ALDH1A1 (0.60) HRH3KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL13266893 0.79 HRH3 (0.82) HRH3CD274MAPTSMN1; SMN2MEN1
SCHEMBL1255023 0.77 NPC1 (0.52) HRH3CD274KDM4EALDH1A1NPC1
SCHEMBL1256309 0.76 CD274 (0.55) CD274KDM4EMAPTMEN1ALDH1A1
SCHEMBL27871217 0.75 PRMT6 (0.61) HRH3JAK2LRRK2
SCHEMBL19105606 0.74 MAPT (0.46) HRH3MAPTSMN1; SMN2MEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-02-07 US disclosed
EP-2467137-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-06-27 EP disclosed
WO-2011022473-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-02-24 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-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF FLT3, CSF3R, CSF1R HRH3 231/4885CD274 2612/4885ALOX5AP 4334/4885

“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.