SCHEMBL6676264

SCHEMBL6676264

COc1nc(C)c(C)cc1N=C(NO)N1CCN(c2cccc(Br)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
DHFR P00374 1/20 0.38
PHGDH O43175 2/20 0.37
PKM P14618 1/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 2/20 0.35
LIMK2 P53671 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
PIM1 P11309 1/20 0.34
CCNT1 O60563 1/20 0.33

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
SCHEMBL6672088 0.90 HSD17B10 (0.43) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL6672608 0.86 PHGDH (0.43) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL6675422 0.86 CYP3A4 (0.41) KMT2AMEN1CYP3A4CYP2C19PHGDH
SCHEMBL6675972 0.85 PHGDH (0.38) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL6898497 0.83 PHGDH (0.39) KMT2AMEN1PHGDHHSD17B10ALDH1A1
SCHEMBL6894905 0.83 HSD17B10 (0.33) CYP3A4CYP2C19PHGDHHSD17B10ALDH1A1
SCHEMBL6676269 0.82 KMT2A (0.38) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL6672125 0.81 HSD17B10 (0.32) PHGDHHSD17B10
SCHEMBL6672526 0.81 ALDH1A1 (0.47) KMT2ACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL6672542 0.81 HSD17B10 (0.40) KMT2AMEN1CYP3A4CYP2C9CYP2C19

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 KMT2A 2664/4885MEN1 3862/4885CYP3A4 339/4885

“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.