SCHEMBL1256309

SCHEMBL1256309

Nc1ccc(-c2cnc(NCCN3CCOCC3)nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.55
MKNK1 Q9BUB5 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
BACE1 P56817 1/20 0.46
LMNA P02545 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
HIF1A Q16665 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATR Q13535 1/20 0.44
P2RX3 P56373 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44
TLR9 Q9NR96 1/20 0.43

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
SCHEMBL1257202 0.88 MKNK1 (0.48) CD274MKNK1MEN1KMT2ABACE1
SCHEMBL1256258 0.86 ACHE (0.55) MKNK1MEN1KMT2AHSD17B10TP53
SCHEMBL1256254 0.86 KDR (0.57) CD274LMNACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1257055 0.85 KDR (0.56) CD274LMNACYP1A2CYP3A4CYP2D6
SCHEMBL1254999 0.83 FYN (0.48) CD274MKNK1MEN1KMT2ABACE1
SCHEMBL19425648 0.80 KDM4E (0.45) CD274MKNK1KMT2ALMNACYP3A4
SCHEMBL4260673 0.79 MERTK (0.59) MKNK1P2RX3P2RX2
SCHEMBL1257160 0.79 KDR (0.50) CD274KMT2ALMNANPC1RAB9A
SCHEMBL1256820 0.78 PIK3CD (0.57) CD274LMNACYP1A2CYP3A4CYP2D6
SCHEMBL2943473 0.78 TYRO3 (0.50) KMT2ALMNACYP3A4CYP2D6CYP2C19

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 CD274 2612/4885MKNK1 715/4885MEN1 1373/4885

“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.