SCHEMBL15222002

SCHEMBL15222002

Cc1ccc(F)c(NC(=O)Nc2ccc(-c3c(CO)cn4ncnc(N)c34)cc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.46
AURKA O14965 3/20 0.46
CDK19 Q9BWU1 1/20 0.46
KDR P35968 17/20 0.46
FLT3 P36888 8/20 0.45
KIT P10721 6/20 0.45
LCK P06239 5/20 0.45
FLT1 P17948 5/20 0.45
FLT4 P35916 5/20 0.45
CSF1R P07333 4/20 0.45
FRK P42685 4/20 0.44
FGFR1 P11362 4/20 0.44
BLK P51451 4/20 0.44
RET P07949 3/20 0.44
RPS6KA3 P51812 3/20 0.44
MAP4K2 Q12851 3/20 0.44
ROCK2 O75116 3/20 0.44
MAP4K4 O95819 3/20 0.44
LYN P07948 3/20 0.44
AXL P30530 3/20 0.44

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
SCHEMBL15221826 0.91 KDR (0.56) AURKBAURKACDK19KDRFLT3
SCHEMBL276101 0.91 FLT3 (0.51) AURKBAURKAKDRFLT3KIT
SCHEMBL15222000 0.89 NTRK1 (0.40) AURKAKDRFLT3KITLCK
SCHEMBL275542 0.88 FLT3 (0.55) AURKBAURKAKDRFLT3KIT
SCHEMBL15222003 0.87 KDR (0.47) AURKBAURKAKDRFLT3KIT
SCHEMBL15221839 0.86 KDR (0.46) AURKBAURKAKDRFLT3KIT
SCHEMBL15222001 0.85 KDR (0.44) AURKBAURKAKDRFLT3KIT
SCHEMBL15221833 0.83 KDR (0.53) AURKBAURKACDK19KDRFLT3
SCHEMBL15221869 0.83 KDR (0.55) AURKBAURKACDK19KDRFLT3
SCHEMBL15221868 0.82 KDR (0.54) AURKBAURKACDK19KDRFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225809-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-08-29 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 (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-20130225809-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS MKI67, TK2, CDK4 AURKB 2267/4885AURKA 1525/4885CDK19 655/4885

“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.