SCHEMBL6674780

SCHEMBL6674780

CCc1cc(N=C(NO)N2CCN(c3cc(C)cc(C)c3)CC2)c(OC)nc1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 6/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RY12 Q9H244 1/20 0.31
AOC3 Q16853 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
HTR1A P08908 3/20 0.30
DCTPP1 Q9H773 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
SCHEMBL6896764 0.92 PHGDH (0.36) PHGDHLMNAHSD17B10CYP3A4MEN1
SCHEMBL6675864 0.91 PHGDH (0.37) PHGDHLMNAHSD17B10MEN1KMT2A
SCHEMBL6678302 0.91 PHGDH (0.40) PHGDHLMNAHSD17B10KMT2ADCTPP1
SCHEMBL6671804 0.90 HTT (0.33) PHGDHLMNAHSD17B10
SCHEMBL6674452 0.89 HSD17B10 (0.42) HSD17B10MEN1KMT2A
SCHEMBL6675972 0.88 PHGDH (0.38) PHGDHLMNAHSD17B10CYP3A4MEN1
SCHEMBL6687934 0.87 PHGDH (0.34) PHGDHLMNAHSD17B10CYP3A4MEN1
SCHEMBL6674714 0.87 MAPT (0.37) LMNAMEN1KMT2ADCTPP1
SCHEMBL6678795 0.85 PKM (0.37) PHGDHLMNAHSD17B10PKMKMT2A
SCHEMBL6676074 0.85 GAA (0.40) PHGDHLMNAHSD17B10CYP3A4MEN1

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 PHGDH 2923/4885LMNA 3343/4885HSD17B10 1124/4885

“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.