SCHEMBL863973

SCHEMBL863973

CC(=O)N1CCC(Nc2nc3c(Cl)cccc3cc2C(C)N)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
MAPK3 P27361 1/20 0.40
SYK P43405 2/20 0.40
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
CXCR3 P49682 1/20 0.39
PAK1 Q13153 2/20 0.38
MAPT P10636 1/20 0.38
BTK Q06187 1/20 0.38
NSD2 O96028 1/20 0.38
MET P08581 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL863972 1.00 IRAK1 (0.41) IRAK1IRAK4PIM1PIM2MAPK3
SCHEMBL864964 0.87 PIM1 (0.40) IRAK1IRAK4PIM1PIM2MAPK3
SCHEMBL863914 0.83 PIK3CD (0.40) IRAK1IRAK4PIM1PIM2MAPK3
SCHEMBL863913 0.83 PIK3CD (0.40) IRAK1IRAK4PIM1PIM2MAPK3
Hydrochloric Acid SCHEMBL864991 0.82 CCNT1 (0.41) IRAK1IRAK4JAK2JAK3BTK
Hydrochloric Acid SCHEMBL864990 0.82 CCNT1 (0.41) IRAK1IRAK4JAK2JAK3BTK
Hydrochloric Acid SCHEMBL864992 0.82 CCNT1 (0.41) IRAK1IRAK4JAK2JAK3BTK
SCHEMBL864825 0.81 PIK3CD (0.43) IRAK1IRAK4JAK2JAK3PAK1
SCHEMBL864826 0.81 PIK3CD (0.43) IRAK1IRAK4JAK2JAK3PAK1
SCHEMBL715606 0.77 CNR2 (0.41) MAPTALDH1A1

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-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA IRAK1 109/4885IRAK4 107/4885PIM1 614/4885

“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.