SCHEMBL1256258

SCHEMBL1256258

Nc1ccc(-c2cnc(NCCN3CCCCC3)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.55
MCHR1 Q99705 1/20 0.44
MAP4K4 O95819 1/20 0.43
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
HRH4 Q9H3N8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LTA4H P09960 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1256309 0.86 CD274 (0.55) P2RX3P2RX2ALDH1A1MKNK1KDM4E
SCHEMBL28946096 0.81 ACHE (0.47) ACHEMCHR1MEN1KMT2A
SCHEMBL4717516 0.81 MCHR1 (0.47) ACHEMCHR1MAP4K4P2RX3P2RX2
SCHEMBL14767428 0.79 MCHR1 (0.54) ACHEMCHR1MAP4K4HRH3
SCHEMBL1255047 0.76 PIM1 (0.44) ACHEP2RX3P2RX2HRH3MKNK1
SCHEMBL1255086 0.76 HRH3 (0.51) MCHR1HRH3HRH4
SCHEMBL23406026 0.76 ACHE (0.52) ACHEHRH3MKNK1
SCHEMBL29744135 0.76 ACHE (0.52) ACHEHRH3MKNK1
SCHEMBL4804050 0.76 ALDH1A1 (0.50) ACHEMCHR1HRH3ALDH1A1LTA4H
SCHEMBL1257202 0.75 MKNK1 (0.48) P2RX3P2RX2MKNK1MEN1NPC1

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 ACHE 2806/4885MCHR1 2652/4885MAP4K4 506/4885

“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.