SCHEMBL2429937

SCHEMBL2429937

N#CCCCS(=O)(=O)N1CCC(N)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.33
MAPT P10636 2/20 0.31
NLRP3 Q96P20 1/20 0.31
ALDH1A1 P00352 2/20 0.30
DPP4 P27487 1/20 0.30
LMNA P02545 1/20 0.30
SMYD3 Q9H7B4 1/20 0.30

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
SCHEMBL24571244 0.77 EPHX2 (0.40) JAK1MAPTALDH1A1LMNASMYD3
SCHEMBL1564007 0.77 NPC1 (0.45) MAPTALDH1A1LMNA
SCHEMBL19863561 0.76 CCND1 (0.38) MAPTALDH1A1LMNA
SCHEMBL22339879 0.74 SMYD3 (0.40) JAK1MAPTALDH1A1LMNASMYD3
SCHEMBL2423379 0.73 IKBKB (0.39) JAK1ALDH1A1LMNASMYD3
SCHEMBL5006783 0.73 ALDH1A1 (0.36) MAPTALDH1A1LMNA
SCHEMBL1516954 0.73 ALDH1A1 (0.50) MAPTALDH1A1LMNA
SCHEMBL13993548 0.72 KDM4E (0.44) MAPTNLRP3ALDH1A1LMNA
SCHEMBL695370 0.72 KDM4E (0.44) MAPTALDH1A1LMNA
SCHEMBL2429930 0.71 GNAI3 (0.42) ALDH1A1SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366699-B1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-07 EP disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 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-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 JAK1 87/4885MAPT 3817/4885NLRP3 884/4885

“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.