SCHEMBL1298537

SCHEMBL1298537

CCOC(=O)CC(c1ccc(F)cc1)c1nc(Nc2cc[nH]n2)n2cccc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
RAB9A P51151 2/20 0.32
HTT P42858 2/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL1298741 0.83 CSNK1D (0.32) CSNK1DCSNK1E
SCHEMBL1298939 0.82 ALDH1A1 (0.32) ALDH1A1CSNK1DCSNK1E
SCHEMBL1299071 0.81 CSNK1D (0.31) CSNK1DCSNK1E
SCHEMBL1298977 0.80 GPR139 (0.31) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL1298491 0.80 JAK2 (0.38) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL12102382 0.79 JAK2 (0.40)
SCHEMBL1324734 0.79 KDM4E (0.34) ALDH1A1KDM4EHPGDCSNK1DCSNK1E
SCHEMBL1298213 0.79 CSNK1D (0.31) GAASMN1; SMN2CSNK1DCSNK1EMAPT
SCHEMBL1299137 0.77 CSNK1D (0.30) CSNK1DCSNK1E
SCHEMBL1298298 0.76 ACHE (0.36) ALDH1A1KDM4EHPGDHSD17B10CASP1

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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US 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 ALDH1A1 4263/4885KDM4E 1049/4885GAA 2995/4885

“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.