SCHEMBL279760

SCHEMBL279760

CCOC(=O)c1cn(COCC[Si](C)(C)C)c(C#N)c1-c1ccc(NC(=O)OC(C)(C)C)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.38
DGAT1 O75907 3/20 0.36
EGLN2 Q96KS0 1/20 0.35
KCNQ4 P56696 2/20 0.33
KCNQ5 Q9NR82 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
FLT3 P36888 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
AR P10275 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
ADORA3 P0DMS8 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
SCHEMBL275676 0.83 CYP17A1 (0.41) CYP17A1EGLN2KCNQ4KCNQ5L3MBTL1
SCHEMBL276366 0.75 CYP17A1 (0.43) CYP17A1EGLN2KCNQ4KCNQ5L3MBTL1
SCHEMBL30880009 0.72 DGAT1 (0.34) DGAT1L3MBTL1MEN1KMT2AMAPT
SCHEMBL275429 0.72 DGAT1 (0.38) DGAT1L3MBTL1MEN1KMT2AATM
SCHEMBL276065 0.71 KDR (0.42) CYP17A1EGLN2FLT3
SCHEMBL25792131 0.68 DGAT1 (0.45) CYP17A1DGAT1EGLN2AR
SCHEMBL25359852 0.67 RAB9A (0.49) CYP17A1KCNQ4KCNQ5L3MBTL1MEN1
SCHEMBL31064570 0.67 TP53 (0.34) KCNQ4KCNQ5MEN1NPC1KMT2A
SCHEMBL25793117 0.67 KDR (0.44) CYP17A1DGAT1
SCHEMBL5420207 0.67 CYP17A1 (0.37) CYP17A1DGAT1MEN1NPC1KMT2A

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
US-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 US disclosed
US-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 US disclosed
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2012-06-28 US disclosed
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 (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-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, FLT4, CDKL4 CYP17A1 2904/4885DGAT1 3884/4885EGLN2 152/4885
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 CYP17A1 2904/4885DGAT1 3884/4885EGLN2 152/4885

“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.