Sugi Predict

Sugi Predict / Compounds / SCHEMBL90904

SCHEMBL90904

SCHEMBL90904

C=C1OB(c2ccc(NC(=O)OC(C)(C)C)c(C)c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.39
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ CISD2 Q8N5K1 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ HIF1A Q16665 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP17A1 P05093 1/20 0.31

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
SCHEMBL879085 0.87 AAK1 (0.38) AAK1PRMT5WDR77ALDH1A1
SCHEMBL65546 0.84 AAK1 (0.53) AAK1PRMT5WDR77CA12CA1
SCHEMBL12469267 0.79 BRD9 (0.38) AAK1POLBBRD9MEN1KMT2A
SCHEMBL10071172 0.77 CYP17A1 (0.39) AAK1PRMT5WDR77CYP17A1
SCHEMBL12888644 0.76 TSHR (0.36) AAK1PRMT5WDR77TSHR
SCHEMBL12316014 0.76 NAMPT (0.39) AAK1PRMT5WDR77CA12CA1
SCHEMBL13270509 0.75 ALDH1A1 (0.35) CA12CA1CA9ATMTP53
SCHEMBL1646602 0.74 AAK1 (0.52) AAK1PRMT5WDR77CA1CA9
SCHEMBL4822133 0.74 AAK1 (0.59) AAK1PRMT5WDR77CA1CA9
SCHEMBL13762965 0.73 AAK1 (0.36) AAK1PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 — — US disclosed
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
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 — — 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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 AAK1 508/4885PRMT5 1156/4885WDR77 2680/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 AAK1 519/4885PRMT5 1312/4885WDR77 2689/4885

“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.