SCHEMBL3311103

SCHEMBL3311103

NC(=O)c1cccn1NC(=O)CNC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAP3K14 Q99558 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PLA2G10 O15496 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PLA2G1B P04054 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ADRA1D P25100 1/20 0.30

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
SCHEMBL3314258 0.80 NPFFR1 (0.39)
SCHEMBL15956594 0.80 LMNA (0.42) LMNAMAP3K14HCAR2KDM4ENPC1
SCHEMBL1298778 0.74 LMNA (0.38) LMNAMAP3K14KDM4ENPC1RAB9A
SCHEMBL2060019 0.74 LMNA (0.38) LMNAMAP3K14KDM4ETSHRCYP2C19
SCHEMBL15956851 0.71 CYP2C9 (0.37) LMNAMAP3K14KDM4ENPC1RAB9A
SCHEMBL15527837 0.70 GAA (0.44) LMNAKDM4ENPC1RAB9ACYP2D6
SCHEMBL13088423 0.70 LMNA (0.40) LMNAMAP3K14KDM4ENPC1RAB9A
SCHEMBL25262175 0.69 LMNA (0.37) LMNAMAP3K14KDM4ENPC1RAB9A
SCHEMBL28339239 0.68 PARP1 (0.37) LMNAKDM4ENPC1RAB9ACYP2C19
SCHEMBL28339241 0.68 PARP1 (0.37) LMNAKDM4ENPC1RAB9ACYP2C19

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-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
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

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 LMNA 4637/4885MAP3K14 40/4885HCAR2 2441/4885

“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.