SCHEMBL6495708

SCHEMBL6495708

CCSc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)c(OC)c2)cc2nccn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 2/20 0.45
ALDH1A1 P00352 7/20 0.42
TSHR P16473 3/20 0.42
GAA P10253 1/20 0.42
NPBWR1 P48145 1/20 0.42
KDM4E B2RXH2 3/20 0.40
SYK P43405 4/20 0.39
MAP4K4 O95819 2/20 0.39
MAP4K2 Q12851 2/20 0.39
PKN2 Q16513 2/20 0.39
AURKB Q96GD4 2/20 0.39
SLK Q9H2G2 2/20 0.39
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39
CDK1 P06493 1/20 0.39
CSF1R P07333 1/20 0.39
MET P08581 1/20 0.39

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
SCHEMBL6499730 0.85 SYK (0.42) ALDH1A1KDM4ESYKMAP4K4MAP4K2
SCHEMBL6497433 0.81 MEN1 (0.53) ALDH1A1TSHRKDM4ESYKMAP4K4
SCHEMBL6495558 0.78 CXCL12 (0.45) ALDH1A1GAAKDM4ESYKMAP4K4
SCHEMBL6498410 0.77 SYK (0.45) ALDH1A1TSHRKDM4ESYKMAP4K4
SCHEMBL6498406 0.77 SYK (0.43) ALDH1A1TSHRGAAKDM4ESYK
SCHEMBL6497718 0.76 SYK (0.43) ALDH1A1TSHRKDM4ESYKMAP4K4
SCHEMBL6495094 0.76 MAOB (0.45) ALDH1A1KDM4ESYKMAP4K4MAP4K2
SCHEMBL6505068 0.75 SYK (0.44) ALDH1A1TSHRKDM4ESYKMAP4K4
SCHEMBL6495281 0.73 IGF1R (0.47) ALDH1A1TSHRKDM4ESYKMAP4K4
SCHEMBL6505511 0.73 MAP3K11 (0.46) ALDH1A1KDM4ESYKKITMAPT

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
US-6911443-B2 Imidazopyrimidine derivatives and triazolopyrimidine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-06-28 US disclosed
EP-1278750-B1 IMIDAZOPYRIMIDINE DERIVATIVES AND TRIAZOLOPYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-08-04 EP disclosed
US-20040054179-A1 Imidazopyrimidine derivatives and triazolopyrimidine derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-03-18 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-20040054179-A1 Imidazopyrimidine derivatives and triazolopyrimidine derivatives XRCC6, XRN2, HRH2 MCOLN3 4278/4885ALDH1A1 2402/4885TSHR 983/4885

“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.