SCHEMBL1298653

SCHEMBL1298653

O=C(c1ccc(F)cc1)c1nc(Nc2nccs2)n2cccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SCD O00767 1/20 0.40
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
GAA P10253 4/20 0.37
ALDH1A1 P00352 4/20 0.37
CA1 P00915 1/20 0.37
HTT P42858 2/20 0.36
PTGS2 P35354 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CSNK1D P48730 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
SCHEMBL1298811 0.83 NPC1 (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1298532 0.79 KMT2A (0.40) KMT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1298990 0.78 PIK3CA (0.38) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL1298713 0.77 ALDH1A1 (0.36) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1298181 0.76 CSNK1D (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL12102368 0.74 JAK2 (0.49) MEN1KMT2ASCD
SCHEMBL1298321 0.72 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL1298676 0.71 IGF1R (0.44)
SCHEMBL1298862 0.69 IGF1R (0.42)
SCHEMBL20674155 0.64 NPC1 (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 4 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 claimed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO claimed
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 MEN1 4396/4885KMT2A 854/4885SCD 3758/4885

“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.