SCHEMBL681814

SCHEMBL681814

CC(C)c1cc(F)c2cn[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.56
EIF4A3 P38919 2/20 0.47
PIK3CD O00329 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
HCK P08631 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
EPHB4 P54760 1/20 0.41
PRKDC P78527 1/20 0.41
IDO1 P14902 4/20 0.39
TDO2 P48775 1/20 0.36
CYP1A2 P05177 2/20 0.35
AXL P30530 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 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
SCHEMBL13064912 0.83 METAP2 (0.41) METAP2EIF4A3PIK3CDABL1EGFR
SCHEMBL20884905 0.81 METAP2 (0.59) METAP2ABL1KDRIDO1TDO2
SCHEMBL23338155 0.80 METAP2 (0.58) METAP2IDO1TDO2KDM4EMEN1
SCHEMBL20883605 0.79 METAP2 (0.56) METAP2EIF4A3IDO1TDO2KDM4E
SCHEMBL685418 0.76 IDO1 (0.59) METAP2PIK3CDABL1EGFRHCK
SCHEMBL3538351 0.75 METAP2 (0.56) METAP2PIK3CDABL1EGFRHCK
SCHEMBL30403358 0.75 METAP2 (0.56) METAP2PIK3CDABL1EGFRHCK
SCHEMBL21267264 0.75 METAP2 (0.52) METAP2EGFRPRKDCIDO1TDO2
SCHEMBL23809264 0.73 METAP2 (0.55) METAP2EIF4A3IDO1TDO2KDM4E
SCHEMBL23588717 0.72 METAP2 (0.40) METAP2PIK3CDABL1EGFRHCK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
EP-2240451-B1 Isoquinolinone derivatives substituted with a purine useful as PI3K inhibitors INTELLIKINE LLC (US) 2017-08-09 EP disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US 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 (3 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-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 METAP2 4145/4885EIF4A3 661/4885PIK3CD 147/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 METAP2 4145/4885EIF4A3 661/4885PIK3CD 147/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 METAP2 4145/4885EIF4A3 661/4885PIK3CD 147/4885

“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.