SCHEMBL2428229

SCHEMBL2428229

CCNS(=O)(=O)N1CCC(N)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.34
GNAO1 P09471 2/20 0.34
GNAI1 P63096 2/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
SMYD3 Q9H7B4 8/20 0.33
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
TP53 P04637 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL17801413 0.81 CCNT1 (0.33) CCNT1CDK9TSHRL3MBTL1GAA
SCHEMBL13403908 0.79 HCRTR2 (0.38) CCNT1CDK9TSHRL3MBTL1GAA
SCHEMBL13301197 0.78 HSD11B1 (0.38) CCNT1CDK9TSHRL3MBTL1TP53
SCHEMBL2424959 0.78 CCNE1 (0.33) SMYD3TP53
SCHEMBL24676691 0.78 MAPT (0.41) SMYD3TSHRTP53ALDH1A1
SCHEMBL13816965 0.77 ALDH1A1 (0.39) TSHRL3MBTL1GAATP53ALDH1A1
SCHEMBL13301165 0.77 ALDH1A1 (0.42) TSHRL3MBTL1GAAALDH1A1
SCHEMBL695370 0.77 KDM4E (0.44) GNAI3GNAO1GNAI1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL31722161 0.76 GNAI3 (0.32) GNAI3GNAO1GNAI1SMYD3TP53
Hydrochloric Acid SCHEMBL29903895 0.75 KDM4E (0.43) GNAI3GNAO1GNAI1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022149057-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-07-14 WO disclosed
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
CN-102171204-A 8-substituted isoquinoline derivative and application thereof ASAHI KASEI PHARMA CORP 2011-08-31 CN 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 GNAI3 155/4885GNAO1 1491/4885GNAI1 107/4885

“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.