SCHEMBL6652129

SCHEMBL6652129

COc1nc(C)c(C)cc1NC(=S)N1CCN(c2cccc(Br)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 3/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
PKM P14618 1/20 0.49
CYP3A4 P08684 4/20 0.49
CYP2C19 P33261 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 3/20 0.48
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL27556985 0.90 MEN1 (0.63) PHGDHMEN1KMT2APKMCYP3A4
SCHEMBL6953207 0.89 LMNA (0.52) PHGDHMEN1KMT2APKMCYP3A4
SCHEMBL8699629 0.88 KDM4E (0.57) PHGDHMEN1KMT2APKMCYP3A4
SCHEMBL6676269 0.86 KMT2A (0.38) PHGDHMEN1KMT2APKMCYP3A4
SCHEMBL6561388 0.86 PHGDH (0.52) PHGDHMEN1KMT2APKMCYP3A4
SCHEMBL6654161 0.84 PHGDH (0.60) PHGDHMEN1KMT2APKMCYP3A4
SCHEMBL6651537 0.84 CYP3A4 (0.61) PHGDHMEN1KMT2ACYP3A4CYP2C19
SCHEMBL6776598 0.83 MEN1 (0.57) PHGDHMEN1KMT2APKMCYP3A4
SCHEMBL6657881 0.83 PHGDH (0.56) PHGDHMEN1KMT2APKMCYP3A4
SCHEMBL27541031 0.83 CYP3A4 (0.52) PHGDHMEN1KMT2ACYP3A4CYP2C19

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
CN-100354271-C Piperazine derivatives and process for the preparation thereof SAMJIN PHARM CO LTD (KR) 2007-12-12 CN disclosed
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
CN-1296477-A Piperazine derivatives and process for the preparation thereof SAMJIN PHARM CO LTD (KR) 2001-05-23 CN 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 2923/4885MEN1 3862/4885KMT2A 2664/4885

“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.