SCHEMBL327947

SCHEMBL327947

CCOC(=O)/C(=C\N(C)C)C(=O)c1ccc(N=O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
CYP2C9 P11712 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 3/20 0.33
POLB P06746 2/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
DHODH Q02127 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL2080503 0.83 MEN1 (0.42) MEN1KMT2AMAPTNPSR1CYP2C9
SCHEMBL4567542 0.81 CES2 (0.43) MEN1KMT2AMAPTNPSR1CYP2C9
SCHEMBL328012 0.80 MAPT (0.42) MEN1KMT2AMAPTNPSR1CYP2C9
SCHEMBL11388473 0.80 MAPT (0.56) MEN1KMT2AMAPTNPSR1CYP2C9
SCHEMBL279188 0.80 MAPT (0.47) MEN1KMT2AMAPTNPSR1CYP2C9
SCHEMBL275027 0.80 MAPT (0.47) MEN1KMT2AMAPTNPSR1CYP2C9
SCHEMBL275028 0.80 MAPT (0.47) MEN1KMT2AMAPTNPSR1CYP2C9
SCHEMBL29254518 0.79 MEN1 (0.43) MEN1KMT2AMAPTNPSR1CYP2C9
SCHEMBL3822857 0.78 CES2 (0.47) MEN1KMT2AMAPTNPSR1CYP2C9
SCHEMBL3822858 0.78 CES2 (0.47) MEN1KMT2AMAPTNPSR1CYP2C9

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-8133995-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-13 US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 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-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 MEN1 4024/4885KMT2A 1231/4885MAPT 1376/4885

“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.