SCHEMBL1298531

SCHEMBL1298531

O=C(c1cccc(F)c1)c1nc(Cl)n2cccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MEN1 O00255 1/20 0.39
PARP1 P09874 1/20 0.39
KCNQ3 O43525 2/20 0.38
KCNQ2 O43526 2/20 0.38
KCNQ5 Q9NR82 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
IGFBP3 P17936 1/20 0.37
PLA2G7 Q13093 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL1298321 0.85 SMN1; SMN2 (0.44) POLBSMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL1298380 0.75 KMT2A (0.40) KMT2APOLBCES2CES1MEN1
SCHEMBL1299131 0.74 PTGS1 (0.45) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1299260 0.73 AURKA (0.48) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL1298938 0.71 KMT2A (0.44) KMT2APOLBCES2CES1MEN1
SCHEMBL1298801 0.71 PARP1 (0.47) KMT2AMEN1PARP1SMN1; SMN2ALDH1A1
SCHEMBL1298812 0.69 CNR2 (0.44) SMN1; SMN2RAB9AMAPT
SCHEMBL163563 0.68 IGFBP3 (0.43) KMT2ACES2CES1MEN1PARP1
SCHEMBL1258944 0.68 CES2 (0.74) KMT2APOLBCES2CES1MEN1
SCHEMBL30733925 0.68 POLB (0.57) KMT2APOLBCES2CES1MEN1

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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 KMT2A 854/4885POLB 2726/4885CES2 4185/4885

“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.