SCHEMBL867887

SCHEMBL867887

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.39
CYP1A1 P04798 5/20 0.39
CYP1B1 Q16678 5/20 0.39
MAP4K4 O95819 3/20 0.35
ALOX5AP P20292 5/20 0.35
FEN1 P39748 5/20 0.35
GRM1 Q13255 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
LATS1 O95835 2/20 0.33
LATS2 Q9NRM7 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
EPHB4 P54760 1/20 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
SCHEMBL11902833 0.88 CYP1A1 (0.41) CYP1A2CYP1A1CYP1B1LATS1LATS2
SCHEMBL11903363 0.84 CYP1A1 (0.39) CYP1A2CYP1A1CYP1B1GRM1LATS1
SCHEMBL867664 0.82 MPL (0.44) ALOX5APFEN1GRIN1GRIN2B
SCHEMBL11903373 0.82 CYP1A1 (0.39) CYP1A2CYP1A1CYP1B1GRM1LATS1
SCHEMBL11902852 0.81 MAP4K4 (0.33) CYP1A2CYP1A1CYP1B1MAP4K4ALOX5AP
SCHEMBL11903355 0.77 NPC1 (0.51) CYP1A2CYP1A1CYP1B1ADORA1
SCHEMBL868406 0.74 EGFR (0.45) CYP1A2CYP1A1CYP1B1
SCHEMBL17476606 0.71 NPC1 (0.35) CYP1A2CYP1A1CYP1B1ALOX5APFEN1
SCHEMBL869532 0.70 ABCG2 (0.42) CYP1A2MAP4K4ADORA2AADORA1CYP3A4
SCHEMBL11902885 0.68 ERBB2 (0.47) GRIN1GRIN2B

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 CYP1A2 1095/4885CYP1A1 719/4885CYP1B1 538/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K CYP1A2 1075/4885CYP1A1 652/4885CYP1B1 503/4885

“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.