SCHEMBL3313426

SCHEMBL3313426

COC(=O)[C@@H]1CCC[C@H]1C(=O)Nn1cccc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
TSHR P16473 3/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC6A3 Q01959 2/20 0.34
CNR2 P34972 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
CPB1 P15086 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
HPGD P15428 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
MMP2 P08253 1/20 0.32

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
SCHEMBL9913081 1.00 SLC6A2 (0.36) SLC6A2SLC6A4TSHRHSD17B10CYP3A4
SCHEMBL3313422 1.00 SLC6A2 (0.36) SLC6A2SLC6A4TSHRHSD17B10CYP3A4
SCHEMBL28339239 0.80 PARP1 (0.37) RAB9ANPC1KMT2AKDM4E
SCHEMBL28339241 0.80 PARP1 (0.37) RAB9ANPC1KMT2AKDM4E
SCHEMBL17174644 0.77 CYP2C19 (0.46) TSHRRAB9ANPC1KMT2AKDM4E
SCHEMBL3312267 0.70 MAPK1 (0.39) CYP3A4MAPK1KDM4EF2
SCHEMBL1298778 0.70 LMNA (0.38) HSD17B10RAB9ANPC1KDM4ERECQL
SCHEMBL8127602 0.69 NPC1 (0.53) HSD17B10RAB9ANPC1KMT2AKDM4E
SCHEMBL25262175 0.69 LMNA (0.37) TSHRCYP3A4CYP1A2RAB9ANPC1
SCHEMBL9133786 0.67 CHRM2 (0.53) SLC6A2SLC6A4CYP3A4

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 SLC6A2 3447/4885SLC6A4 3687/4885TSHR 2750/4885

“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.