SCHEMBL868020

SCHEMBL868020

C#Cc1cccc(Nc2ncnc3cnc(F)cc23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.68
GAK O14976 3/20 0.63
FBP1 P09467 2/20 0.63
ALDH1A1 P00352 1/20 0.63
MAPT P10636 1/20 0.63
RIPK2 O43353 2/20 0.58
BUB1 O43683 2/20 0.58
STK10 O94804 2/20 0.58
MAP3K1 Q13233 2/20 0.58
PIP4K2C Q8TBX8 2/20 0.58
SLK Q9H2G2 2/20 0.58
CARS1 P49589 1/20 0.58
ERBB2 P04626 3/20 0.57
ERBB4 Q15303 2/20 0.57
AURKA O14965 2/20 0.57
ABCG2 Q9UNQ0 2/20 0.57
PLK4 O00444 1/20 0.57
CIT O14578 1/20 0.57
EPHB6 O15197 1/20 0.57
SLC22A1 O15245 1/20 0.57

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
SCHEMBL7539320 0.85 EGFR (0.66) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL29484155 0.85 EGFR (0.69) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL28407487 0.85 EGFR (0.69) EGFRGAKFBP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7535035 0.84 EGFR (0.65) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL7981320 0.82 EGFR (0.73) EGFRERBB2ABCG2DAPK3ABL1
SCHEMBL809971 0.81 EGFR (0.67) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL7978403 0.81 EGFR (0.73) EGFRFBP1ALDH1A1MAPTERBB2
SCHEMBL2988440 0.81 EGFR (1.00) EGFRFBP1ERBB2ABCG2MKNK1
SCHEMBL7975392 0.81 EGFR (0.73) EGFRERBB2
SCHEMBL1766075 0.81 EGFR (0.64) EGFRGAKFBP1ALDH1A1MAPT

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 EGFR 48/4885GAK 413/4885FBP1 3114/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K EGFR 41/4885GAK 534/4885FBP1 3208/4885

“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.