Sugi Predict

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SCHEMBL6022285

SCHEMBL6022285

COC(=O)c1cn(N)c(C(=O)O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CFTR P13569 1/20 0.37
▸ MYC P01106 2/20 0.36
▸ NR4A2 P43354 2/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ATM Q13315 2/20 0.35
▸ TSHR P16473 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CA1 P00915 1/20 0.33

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
SCHEMBL4050384 0.89 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1HSD17B10CFTR
SCHEMBL4050385 0.86 MEN1 (0.36) KMT2AMEN1ALDH1A1HSD17B10CFTR
SCHEMBL6835627 0.83 KDM4E (0.38) KMT2AMEN1ALDH1A1HSD17B10MYC
SCHEMBL14451934 0.74 ATM (0.38) ALDH1A1HSD17B10CFTRKDM4EATM
SCHEMBL6342147 0.72 LMNA (0.34) KMT2AMEN1ALDH1A1HSD17B10CFTR
SCHEMBL22906128 0.71 NR4A2 (0.44) KMT2AMEN1ALDH1A1MYCNR4A2
SCHEMBL5596724 0.71 LMNA (0.38) KMT2AMEN1ALDH1A1HSD17B10CFTR
SCHEMBL12492442 0.71 GPR35 (0.31) —
SCHEMBL12493617 0.71 GPR35 (0.41) MYC
SCHEMBL21561527 0.70 ATM (0.35) KMT2AMEN1ALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034151-B2 1,4-dihydro-4-oxo-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylates; novel approach to the formation of the bicyclic heterocyclic ring system BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-25 — — US disclosed
EP-1590335-A4 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-03-08 — — EP disclosed
US-20060041124-A1 Process for preparing pyrrolotriazine kinase inhibitors CHEN BANG-CHI 2006-02-23 — — US disclosed
EP-1590335-A2 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-11-02 — — EP disclosed
WO-2004072030-A2 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 — — WO disclosed
US-20040157846-A1 Process for preparing pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-12 — — 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-20040157846-A1 Process for preparing pyrrolotriazine kinase inhibitors MAP3K15, MAP4K2, MAP3K5 KMT2A 938/4885MEN1 2609/4885ALDH1A1 4403/4885
US-20060041124-A1 Process for preparing pyrrolotriazine kinase inhibitors MAP3K15, MAP4K2, MAP3K5 KMT2A 938/4885MEN1 2609/4885ALDH1A1 4403/4885

“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.