SCHEMBL6022280

SCHEMBL6022280

COC(=O)c1c[nH]c(C(=O)O)c1C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 11/20 0.45
CREBBP Q92793 1/20 0.45
GRM1 Q13255 2/20 0.43
LMNA P02545 1/20 0.42
MAP2K1 Q02750 1/20 0.41

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
SCHEMBL4046793 0.89 NR4A2 (0.47) NR4A2CREBBPGRM1MAP2K1
SCHEMBL6022276 0.85 NR4A2 (0.41) NR4A2CREBBPGRM1LMNAMAP2K1
SCHEMBL12529489 0.82 GRM1 (0.53) GRM1
SCHEMBL6023948 0.82 NOTUM (0.46) GRM1
SCHEMBL8196733 0.81 NR4A2 (0.45) NR4A2CREBBPLMNAMAP2K1
SCHEMBL6023612 0.80 GRM1 (0.42) NR4A2CREBBPGRM1MAP2K1
SCHEMBL9400147 0.79 NR4A2 (0.49) NR4A2CREBBPLMNAMAP2K1
SCHEMBL11201376 0.78 NPSR1 (0.43) NR4A2CREBBPGRM1MAP2K1
SCHEMBL1156403 0.76 NR4A2 (0.49) NR4A2CREBBPLMNAMAP2K1
SCHEMBL16416410 0.74 CSNK2A1 (0.36) GRM1

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 NR4A2 3889/4885CREBBP 947/4885GRM1 1709/4885
US-20060041124-A1 Process for preparing pyrrolotriazine kinase inhibitors MAP3K15, MAP4K2, MAP3K5 NR4A2 3889/4885CREBBP 947/4885GRM1 1709/4885

“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.