SCHEMBL23723528

SCHEMBL23723528

Cc1csc2c(=O)[nH]c(CN(C)CC(=O)N(C)c3ccccc3Cl)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.40
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HTT P42858 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
PIM1 P11309 7/20 0.38
PIM2 Q9P1W9 7/20 0.38
KMT2A Q03164 4/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PIM3 Q86V86 2/20 0.34

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
SCHEMBL30132101 1.00 PDE5A (0.40) PDE5AALDH1A1KDM4EHTTRXFP1
SCHEMBL23723538 0.90 PDE5A (0.40) PDE5AALDH1A1HTTRXFP1PIM1
SCHEMBL30132068 0.90 PDE5A (0.40) PDE5AALDH1A1HTTRXFP1PIM1
SCHEMBL23723691 0.88 PDE5A (0.41) PDE5AALDH1A1KDM4EHTTRXFP1
SCHEMBL23723613 0.88 PDE5A (0.37) PDE5AALDH1A1KDM4EHTTRXFP1
SCHEMBL30120668 0.84 PIM1 (0.37) PDE5AALDH1A1KDM4EHTTRXFP1
SCHEMBL23723517 0.84 PIM1 (0.37) PDE5AALDH1A1KDM4EHTTRXFP1
SCHEMBL30132075 0.81 ALPL (0.41) PDE5AALDH1A1KDM4EHTTRXFP1
SCHEMBL23723556 0.81 ALPL (0.41) PDE5AALDH1A1KDM4EHTTRXFP1
SCHEMBL23723534 0.81 TNKS (0.37) PDE5AALDH1A1KDM4EHTTRXFP1

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
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
EP-4100015-A1 COMBINATION THERAPY FOR TREATING MPS1 Gain Therapeutics SA (CH) 2022-12-14 EP disclosed
CN-115397423-A Combination therapy for the treatment of MPS1 增益治疗股份有限公司 2022-11-25 CN disclosed
WO-2021156774-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2021-08-12 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-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 IDUA, MAN2B1, GBA1 PDE5A 709/4885ALDH1A1 796/4885KDM4E 3566/4885

“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.