SCHEMBL90877

SCHEMBL90877

CCN(CCOC)Cc1cc(-c2ccc(NC(=O)OC(C)(C)C)c(OC)c2)c2c(N)ncnn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.46
KDR P35968 2/20 0.46
PIK3CD O00329 2/20 0.46
EGFR P00533 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CG P48736 1/20 0.46
BACE1 P56817 1/20 0.46
PRKDC P78527 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
SRC P12931 4/20 0.43
PTK6 Q13882 5/20 0.43
FYN P06241 2/20 0.43
CSNK2A2 P19784 2/20 0.39
CSNK2A1 P68400 2/20 0.39
ACVRL1 P37023 3/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
RET P07949 1/20 0.37
AXL P30530 1/20 0.36

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
SCHEMBL31630574 0.84 ABL1 (0.49) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL31630453 0.84 ABL1 (0.49) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL878946 0.83 RET (0.41) ACVRL1ALDH1A1RETLCK
SCHEMBL10290364 0.82 ACVRL1 (0.45) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL879093 0.82 KDR (0.43) KDREGFRSRC
SCHEMBL31630089 0.79 PIK3CD (0.49) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL31630448 0.79 ABL1 (0.60) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL65771 0.79 ACVRL1 (0.58) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL31630426 0.79 PIK3CD (0.51) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL31630459 0.79 CSNK2A2 (0.55) ABL1KDRPIK3CDEGFRPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 US disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 ABL1 2063/4885KDR 41/4885PIK3CD 529/4885

“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.