SCHEMBL6673300

SCHEMBL6673300

COc1nc(C)c(C(C)N)cc1N=C(NO)N1CCN(c2ccccc2SC)CC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
PHGDH O43175 1/20 0.31
DRD4 P21917 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTR1A P08908 3/20 0.31
DRD2 P14416 3/20 0.31
HSD17B10 Q99714 1/20 0.30
TP53 P04637 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
SCHEMBL6676096 0.93 KMT2A (0.32) MEN1CYP2C19HTTKMT2APHGDH
SCHEMBL6675058 0.88 KMT2A (0.34) MEN1CYP2C19HTTKMT2APHGDH
SCHEMBL6675013 0.84 DRD2 (0.35) MEN1CYP2C19HTTKMT2ADRD4
SCHEMBL6675441 0.84 RAB9A (0.36) MEN1CYP2C19HTTKMT2ADRD4
SCHEMBL6678502 0.83 DRD4 (0.33) MEN1CYP2C19HTTKMT2APHGDH
SCHEMBL6673410 0.82 PHGDH (0.39) MEN1CYP2C19KMT2APHGDHHSD17B10
SCHEMBL6678229 0.81 KMT2A (0.33) MEN1CYP2C19HTTKMT2APHGDH
SCHEMBL6674969 0.81 PHGDH (0.35) MEN1KMT2APHGDHHSD17B10
SCHEMBL6672678 0.80 ADAMTS4 (0.30) HSD17B10
SCHEMBL6676120 0.79 HSD17B10 (0.40) MEN1HTTKMT2AHTR1AHSD17B10

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-1424072-A1 N'-(pyridin-3-yl)-(4-phenylpiperazin-1-yl)-carboxyimidamide and -iminothiolate derivatives for the treatment of tumors Samjin Pharmaceutical Co., Ltd. (KR) 2004-06-02 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 MEN1 3862/4885CYP2C19 1186/4885HTT 3774/4885

“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.