SCHEMBL1298642

SCHEMBL1298642

COc1ccc(F)cc1C(=O)c1nc(Nc2cc[nH]n2)n2cccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 6/20 0.40
KCNK9 Q9NPC2 6/20 0.40
SYK P43405 4/20 0.35
MAP4K4 O95819 2/20 0.35
MAP4K2 Q12851 2/20 0.35
PKN2 Q16513 2/20 0.35
AURKB Q96GD4 2/20 0.35
SLK Q9H2G2 2/20 0.35
AURKA O14965 1/20 0.35
JAK2 O60674 1/20 0.35
INSR P06213 1/20 0.35
LCK P06239 1/20 0.35
LYN P07948 1/20 0.35
RET P07949 1/20 0.35
ROS1 P08922 1/20 0.35
SRC P12931 1/20 0.35
FER P16591 1/20 0.35
KDR P35968 1/20 0.35
BLK P51451 1/20 0.35
RPS6KA3 P51812 1/20 0.35

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
SCHEMBL1298617 0.91 RXFP1 (0.38) KCNK3KCNK9SYKMAP4K4MAP4K2
SCHEMBL1298083 0.87 MAPK14 (0.35) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1298181 0.83 CSNK1D (0.39) MAPK1LMNANPC1PKMRAB9A
SCHEMBL1298380 0.82 KMT2A (0.40) MAP4K4CDK2DYRK3ROCK2CLK2
SCHEMBL1298482 0.78 KCNK3 (0.47) KCNK3KCNK9CDK2LMNARXFP1
SCHEMBL1298966 0.78 KMT2A (0.34) MAP4K4MAP4K2AURKBJAK2RET
SCHEMBL12102334 0.78 JAK2 (0.46) AURKBAURKAJAK2
SCHEMBL1298286 0.74 VNN1 (0.36)
SCHEMBL1298569 0.74 MAPK1 (0.46) MAPK1RXFP1RAB9ASMN1; SMN2KDM4E
SCHEMBL3265458 0.73 CSNK1D (0.36) MAPK1SMN1; SMN2KDM4EALDH1A1

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 KCNK3 1283/4885KCNK9 2616/4885SYK 127/4885

“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.