SCHEMBL15531010

SCHEMBL15531010

NC(=O)C1CN(c2ccnnc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.36
CYP3A4 P08684 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
SYK P43405 1/20 0.35
JAK3 P52333 1/20 0.35
PBK Q96KB5 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
EIF2AK4 Q9P2K8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AOC3 Q16853 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ABL1 P00519 1/20 0.34
LMNA P02545 1/20 0.34
RORC P51449 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
PIK3CD O00329 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5053496 0.81 CHKA (0.44) NOTUMCYP3A4HSD17B10RORCNAMPT
SCHEMBL15530708 0.79 CHRNB2 (0.54)
SCHEMBL30282995 0.79 CHRNB2 (0.54)
SCHEMBL28936913 0.74 ITGB3 (0.38) HCAR2EIF2AK4HSD17B10RORCFPR1
SCHEMBL2297674 0.73 NOTUM (0.58) NOTUMCYP3A4KDM4ELMNARORC
SCHEMBL19787514 0.72 CHRNB2 (0.38)
SCHEMBL16684777 0.71 HRH3 (0.43) AOC3FPR1FPR2
Hydrochloric Acid SCHEMBL31298373 0.71 KCNJ1 (0.49) JAK2JAK1SYKJAK3LMNA
SCHEMBL5585999 0.69 CHRNB2 (0.54) NOTUMCYP3A4KDM4EALDH1A1NPSR1
SCHEMBL30098451 0.69 CHRNB2 (0.54) NOTUMCYP3A4KDM4EALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2847181-A1 PYRIDAZINE AND PYRIDINE DERIVATIVES AS NAMPT INHIBITORS AbbVie Inc. (US) 2015-03-18 EP claimed
WO-2013170115-A1 PYRIDAZINE AND PYRIDINE DERIVATIVES AS NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO claimed
US-20170065575-A1 NAMPT INHIBITORS ABBVIE INC (US) 2017-03-09 US disclosed
EP-2847181-A1 PYRIDAZINE AND PYRIDINE DERIVATIVES AS NAMPT INHIBITORS AbbVie Inc. (US) 2015-03-18 EP disclosed
WO-2013170115-A1 PYRIDAZINE AND PYRIDINE DERIVATIVES AS NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 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-20170065575-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT NOTUM 2800/4885CYP3A4 4662/4885JAK2 4255/4885

“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.