Sugi Predict

Sugi Predict / Compounds / SCHEMBL279598

SCHEMBL279598

SCHEMBL279598

CC(=O)c1c[nH]c(C(N)=O)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GAA P10253 2/20 0.41
▸ NOS1 P29475 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ AR P10275 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ APBA1 Q02410 1/20 0.38

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
SCHEMBL1924226 0.88 TSHR (0.45) TSHRMAPK1GAALMNAMAPT
SCHEMBL13790194 0.83 TSHR (0.46) TSHRMAPK1GAANOS1LMNA
SCHEMBL276472 0.83 MAPT (0.58) GAALMNAMAPTKMT2AMEN1
SCHEMBL1924776 0.81 KMT2A (0.47) TSHRMAPK1GAALMNAMAPT
SCHEMBL15435531 0.78 TSHR (0.44) TSHRMAPK1GAALMNAMAPT
SCHEMBL279476 0.77 MAPK1 (0.43) MAPK1GAALMNAMAPTKMT2A
SCHEMBL1925882 0.73 MAPT (0.39) TSHRMAPK1GAALMNAMAPT
SCHEMBL7234846 0.70 MAPT (0.46) MAPK1GAAMAPTKMT2AMEN1
SCHEMBL27922031 0.70 PARP1 (0.57) TSHRMAPK1GAALMNAMAPT
SCHEMBL1925356 0.70 TSHR (0.50) TSHRMAPK1GAANOS1LMNA

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-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 TSHR 3585/4885MAPK1 2482/4885GAA 1948/4885
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 TSHR 3585/4885MAPK1 2482/4885GAA 1948/4885

“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.