SCHEMBL1298320

SCHEMBL1298320

O=C(c1nc(Nc2cc[nH]n2)n2cccc2n1)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.33
KDM4E B2RXH2 3/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.31
RIPK1 Q13546 1/20 0.31
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
ABL1 P00519 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
MET P08581 1/20 0.30
PDGFRA P16234 1/20 0.30
PRKACA P17612 1/20 0.30
LTK P29376 1/20 0.30

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
SCHEMBL1298947 0.95 KDM4E (0.36) KDM4EPOLBMAPTTDP1HPGD
SCHEMBL1298569 0.80 MAPK1 (0.46) KDM4EPOLBMAPTTDP1HPGD
SCHEMBL1298181 0.79 CSNK1D (0.39) KDM4EPOLBMAPTHPGDALDH1A1
SCHEMBL1298614 0.78 KMT2A (0.39) KDM4EPOLBMAPTTDP1HPGD
SCHEMBL1298617 0.78 RXFP1 (0.38) KDM4EALDH1A1JAK2MAP4K4RET
SCHEMBL1269220 0.77 IGF1R (0.37) HPGDALDH1A1HSD17B10
SCHEMBL1298966 0.77 KMT2A (0.34) KDM4ETDP1HPGDALDH1A1HSD17B10
SCHEMBL1299360 0.77 PTK2 (0.33) KDM4EMAPTALDH1A1JAK2PTK2
SCHEMBL1298380 0.77 KMT2A (0.40) KDM4EPOLBALDH1A1MAP4K4CLK2
SCHEMBL1298083 0.76 MAPK14 (0.35) KDM4EPOLBMAPTTDP1ALDH1A1

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 JAK1 2/4885KDM4E 1049/4885POLB 2726/4885

“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.