SCHEMBL998349

SCHEMBL998349

COc1ccc(C(N)CCO)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.42
P2RX3 P56373 4/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CHRNA7 P36544 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
P2RX2 Q9UBL9 2/20 0.37
SIRT6 Q8N6T7 1/20 0.37
OXTR P30559 1/20 0.36
KCNK3 O14649 1/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL998346 1.00 NNMT (0.42) NNMTP2RX3MKNK1MKNK2CHRNA7
SCHEMBL998123 0.87 NNMT (0.45) NNMTP2RX3MKNK1MKNK2CHRNA7
SCHEMBL998124 0.87 NNMT (0.45) NNMTP2RX3MKNK1MKNK2CHRNA7
SCHEMBL14480161 0.87 NNMT (0.45) NNMTP2RX3MKNK1MKNK2CHRNA7
SCHEMBL4168613 0.81 NNMT (0.42) NNMTMKNK1MKNK2CHRNA7KMT2A
SCHEMBL498475 0.81 NNMT (0.42) NNMTMKNK1MKNK2CHRNA7KMT2A
SCHEMBL4572837 0.81 NNMT (0.42) NNMTMKNK1MKNK2CHRNA7KMT2A
SCHEMBL4181664 0.81 NNMT (0.42) NNMTMKNK1MKNK2CHRNA7KMT2A
SCHEMBL3727872 0.78 NNMT (0.47) NNMTMKNK1MKNK2CHRNA7KMT2A
SCHEMBL19144265 0.78 NNMT (0.41) NNMTMKNK1MKNK2CHRNA7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136639-B1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2016-03-09 EP disclosed
US-8653091-B2 Pyrid-2yl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2014-02-18 US disclosed
US-20110009432-A1 PYRID-2YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-01-13 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 (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-20110009432-A1 PYRID-2YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF IL1B, C5, HTR2C NNMT 1699/4885P2RX3 82/4885MKNK1 2481/4885

“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.