SCHEMBL3567304

SCHEMBL3567304

C/C=C/C(=O)Nc1ccc2c(c1)C(=CNc1ccc(N3CCN(C)CC3)cc1)C(=O)NC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.47
JAK1 P23458 5/20 0.47
CSF1R P07333 1/20 0.46
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 2/20 0.40
PSMD14 O00487 1/20 0.40
MMP2 P08253 1/20 0.40
BLM P54132 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
NTRK1 P04629 2/20 0.39
NTRK3 Q16288 1/20 0.39
JAK2 O60674 3/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NTRK2 Q16620 1/20 0.37

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
SCHEMBL3567313 1.00 JAK3 (0.47) JAK3JAK1CSF1RALDH1A1MAPT
SCHEMBL3567295 1.00 JAK3 (0.47) JAK3JAK1CSF1RALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL3572383 0.94 JAK1 (0.43) JAK3JAK1CSF1RALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL3572388 0.94 JAK1 (0.43) JAK3JAK1CSF1RALDH1A1MAPT
SCHEMBL3571499 0.90 JAK3 (0.47) JAK3JAK1CSF1RJAK2
SCHEMBL3571507 0.90 JAK3 (0.47) JAK3JAK1CSF1RJAK2
SCHEMBL3567249 0.89 CSF1R (0.48) CSF1RALDH1A1MAPTKDM4EMEN1
SCHEMBL3567242 0.89 CSF1R (0.48) CSF1RALDH1A1MAPTKDM4EMEN1
SCHEMBL3629457 0.85 CSF1R (0.49) JAK3CSF1RALDH1A1KDM4EMEN1
SCHEMBL3629455 0.85 CSF1R (0.49) JAK3CSF1RALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 JAK3 1628/4885JAK1 822/4885CSF1R 4359/4885

“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.