SCHEMBL867664

SCHEMBL867664

Nc1cc2c(N)nc(-c3ccc(F)c(C(F)(F)F)c3)nc2cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.44
PIK3CA P42336 2/20 0.40
PIK3CD O00329 1/20 0.39
ALOX5AP P20292 4/20 0.39
FEN1 P39748 4/20 0.39
KMO O15229 2/20 0.38
S1PR1 P21453 2/20 0.37
RPS6KB1 P23443 2/20 0.36
AKT1 P31749 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
CDK8 P49336 1/20 0.35
S1PR3 Q99500 1/20 0.35
RIPK1 Q13546 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
SCHEMBL867887 0.82 CYP1A2 (0.39) ALOX5APFEN1GRIN1GRIN2B
SCHEMBL11902852 0.79 MAP4K4 (0.33) ALOX5APFEN1
SCHEMBL15169486 0.76 MPL (0.45) MPLKMORIPK1
SCHEMBL868629 0.75 PTGS2 (0.44) GRIN1GRIN2B
SCHEMBL11903355 0.75 NPC1 (0.51) KMO
SCHEMBL11902833 0.75 CYP1A1 (0.41) PIK3CA
SCHEMBL11903363 0.72 CYP1A1 (0.39) KMO
SCHEMBL11903373 0.72 CYP1A1 (0.39) KMOS1PR1
SCHEMBL4875273 0.70 MPL (0.58) MPLPIK3CAPIK3CDALOX5APFEN1
SCHEMBL17476606 0.69 NPC1 (0.35) ALOX5APFEN1KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031807-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY Auckland UniServices Limited (NZ) 2016-06-15 EP disclosed
EP-2406262-B1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2016-02-17 EP disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 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 (2 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K MPL 2845/4885PIK3CA 87/4885PIK3CD 215/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K MPL 2860/4885PIK3CA 106/4885PIK3CD 153/4885

“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.