SCHEMBL1924976

SCHEMBL1924976

Nc1cc(C2CC2)nn1CCN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.39
ADORA2A P29274 1/20 0.38
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
HSP90AA1 P07900 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SMYD3 Q9H7B4 1/20 0.35
KEAP1 Q14145 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 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
SCHEMBL13884982 0.80 SIGMAR1 (0.38) ILKCNR2SMN1; SMN2NPC1LMNA
SCHEMBL13869067 0.79 CNR2 (0.41) CNR2SIGMAR1CYP1A2
SCHEMBL21964546 0.77 L3MBTL1 (0.43) ILKSMN1; SMN2LMNAKEAP1
SCHEMBL17045428 0.76 NPC1 (0.40) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL21964556 0.76 MAP3K14 (0.39) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL22505581 0.73 SIGMAR1 (0.40) ILKLMNASIGMAR1KDM4E
SCHEMBL17045382 0.73 UBE2M (0.38) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL14662929 0.73 SMN1; SMN2 (0.41) ADORA2ASMN1; SMN2NPC1LMNATP53
SCHEMBL596225 0.73 SMN1; SMN2 (0.41) SMN1; SMN2NPC1LMNATP53PKM
SCHEMBL17045327 0.72 NPC1 (0.39) SMN1; SMN2NPC1LMNATP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101365701-B Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2011-11-30 CN disclosed
EP-1948664-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-08 EP disclosed
EP-1948664-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-08 EP disclosed
US-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 US disclosed
US-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 US disclosed
US-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 US disclosed
CN-101365701-A Pyrrolotriazine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-02-11 CN disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
WO-2007061882-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 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-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 ILK 1345/4885ADORA2A 2330/4885CNR2 1954/4885

“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.