SCHEMBL3314258

SCHEMBL3314258

CC(C)(C)OC(=O)NCC(=O)Nn1cccc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
CA1 P00915 11/20 0.37
CA2 P00918 10/20 0.37
CA12 O43570 7/20 0.37
CA9 Q16790 6/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
EPHX2 P34913 1/20 0.35
KDM4A O75164 1/20 0.35
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PCSK9 Q8NBP7 1/20 0.34

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
SCHEMBL1854385 0.85 KDM4E (0.37) CA1CA2CA12CA9CA7
SCHEMBL10374343 0.84 PPARG (0.41) NPFFR1NPFFR2SIGMAR1CA1CA12
SCHEMBL10365408 0.81 CTSS (0.37) NPFFR1NPFFR2SIGMAR1
SCHEMBL10365440 0.81 CNR2 (0.41) NPFFR1NPFFR2SIGMAR1
SCHEMBL3311103 0.80 LMNA (0.36)
SCHEMBL15771401 0.79 L3MBTL1 (0.45)
SCHEMBL15771400 0.79 L3MBTL1 (0.45)
SCHEMBL5863065 0.76 CTSK (0.45)
SCHEMBL3309119 0.73 CTSS (0.43)
SCHEMBL15956594 0.72 LMNA (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198438-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-8198438-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-8198438-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-20100113454-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-06 US disclosed
US-20100113454-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-06 US disclosed
US-20100113454-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-06 US disclosed
EP-2134716-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-12-23 EP disclosed
WO-2008131050-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-30 WO disclosed
WO-2008131050-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-30 WO 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 (1 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-20100113454-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, LCK, MAP3K15 NPFFR1 1806/4885NPFFR2 1672/4885SIGMAR1 4470/4885

“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.