SCHEMBL6562891

SCHEMBL6562891

COc1nc2ccccc2nc1NC(=S)N1CCN(c2ccccc2SC)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 5/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ATM Q13315 1/20 0.41
KDM4E B2RXH2 2/20 0.41
DRD4 P21917 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 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
SCHEMBL6560550 0.90 PHGDH (0.47) PHGDHALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6560837 0.88 KMT2A (0.46) ALDH1A1CYP2C19KMT2AMEN1DRD4
SCHEMBL6559635 0.86 ALDH1A1 (0.61) PHGDHALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6561321 0.84 KMT2A (0.52) PHGDHALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6562908 0.81 PHGDH (0.45) PHGDHALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7804720 0.80 KMT2A (0.41) ALDH1A1CYP2C19KMT2AMEN1MAPT
SCHEMBL6562602 0.80 PHGDH (0.57) PHGDHALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6562659 0.79 PHGDH (0.54) PHGDHALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6560454 0.78 PHGDH (0.46) PHGDHALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7803116 0.78 KMT2A (0.46) PHGDHALDH1A1CYP1A2CYP3A4CYP2C9

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
EP-1075469-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2004-05-26 EP disclosed
US-6683184-B2 ANTITUMOR AGENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2004-01-27 US disclosed
US-20030092910-A1 Piperazine derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2003-05-15 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-20030092910-A1 Piperazine derivatives and process for the preparation thereof CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS PHGDH 2923/4885ALDH1A1 58/4885CYP1A2 281/4885

“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.