SCHEMBL938820

SCHEMBL938820

NC(=O)C1CCN(C(=O)c2cn3ncnc(N)c3c2-c2ccc(Nc3nc4cc(F)cc(F)c4[nH]3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.41
MTOR P42345 3/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 1/20 0.41
MET P08581 2/20 0.36
FGFR1 P11362 3/20 0.35
MAP4K4 O95819 1/20 0.34
AURKB Q96GD4 2/20 0.34
AURKA O14965 1/20 0.34
GRM4 Q14833 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
IKBKB O14920 1/20 0.33
PDPK1 O15530 1/20 0.33
NTRK1 P04629 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CDK1 P06493 1/20 0.33

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
SCHEMBL940285 0.92 FGFR1 (0.37) PIK3CAMTORPIK3CDMETFGFR1
SCHEMBL939856 0.89 FGFR1 (0.45) MTORPIK3CDPIK3CBMETFGFR1
SCHEMBL938734 0.89 MTOR (0.40) PIK3CAMTORPIK3CDPIK3CBFGFR1
SCHEMBL938419 0.88 MAP4K4 (0.43) PIK3CAMTORMAP4K4CDK1ATR
SCHEMBL939379 0.85 FGFR1 (0.48) FGFR1AURKBAURKAEGFRIKBKB
SCHEMBL939155 0.85 AURKB (0.39) METFGFR1AURKBAURKAEGFR
SCHEMBL939662 0.84 AURKB (0.44) PIK3CDMAP4K4AURKBAURKAEGFR
SCHEMBL938376 0.84 AURKB (0.43) PIK3CDMAP4K4AURKBAURKAEGFR
SCHEMBL939111 0.83 KDM4E (0.39) FGFR1MAP4K4AURKBAURKAALDH1A1
SCHEMBL940849 0.83 AURKB (0.44) PIK3CDAURKBAURKAEGFRCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957078-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2013-08-28 EP claimed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US claimed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US claimed
EP-1957078-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2013-08-28 EP disclosed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US disclosed
EP-1957078-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE Bayer Healthcare, LLC (US) 2008-08-20 EP disclosed
WO-2007064932-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2007-06-07 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-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 PIK3CA 108/4885MTOR 440/4885PIK3CD 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.