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Sugi Predict / Compounds / SCHEMBL328012

SCHEMBL328012

SCHEMBL328012

CCOC(=O)/C(=C\N(C)C)C(=O)c1ccc(N=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 7/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DHODH Q02127 2/20 0.37
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PLIN1 O60240 1/20 0.35

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
SCHEMBL18017493 0.86 DHODH (0.50) MAPTRAB9AKMT2AMEN1CYP2C9
SCHEMBL184026 0.86 DHODH (0.50) MAPTRAB9AKMT2AMEN1CYP2C9
SCHEMBL184027 0.86 DHODH (0.50) MAPTRAB9AKMT2AMEN1CYP2C9
SCHEMBL3412170 0.83 CYP11B1 (0.54) MAPTKMT2AMEN1CYP2C9ALDH1A1
SCHEMBL11388473 0.83 MAPT (0.56) MAPTKMT2AMEN1CYP2C9ALDH1A1
SCHEMBL29254517 0.83 MAPT (0.56) MAPTRAB9AKMT2AMEN1CYP2C9
SCHEMBL3412173 0.83 CYP11B1 (0.54) MAPTKMT2AMEN1CYP2C9ALDH1A1
SCHEMBL3565354 0.83 CYP11B1 (0.54) MAPTKMT2AMEN1CYP2C9ALDH1A1
SCHEMBL1012186 0.83 MAPT (0.56) MAPTKMT2AMEN1CYP2C9ALDH1A1
SCHEMBL1965188 0.83 MAPT (0.56) MAPTKMT2AMEN1CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 1376/4885NPC1 4409/4885RAB9A 4600/4885
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 MAPT 1376/4885NPC1 4409/4885RAB9A 4600/4885

“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.