SCHEMBL6559653

SCHEMBL6559653

COc1nc(C)c(C)nc1NC(=O)N1CCN(c2cc(N)cc(N)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
GAA P10253 2/20 0.38
PTPN7 P35236 1/20 0.38
RBP4 P02753 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
PI4KB Q9UBF8 3/20 0.37

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
SCHEMBL6562212 0.91 PHGDH (0.44) MAPTKMT2AMAPK1L3MBTL1CA12
SCHEMBL6561294 0.87 MAPT (0.46) MAPTKMT2AMAPK1GAARBP4
SCHEMBL6562716 0.87 PHGDH (0.48) MAPTKMT2AMAPK1L3MBTL1CA12
SCHEMBL6559695 0.86 MAPT (0.43) MAPTKMT2AMAPK1L3MBTL1CA12
SCHEMBL6561048 0.86 MAPT (0.43) MAPTKMT2AMAPK1L3MBTL1CA12
SCHEMBL7803113 0.86 MEN1 (0.41) MAPTKMT2AMAPK1GAAALDH1A1
SCHEMBL6561018 0.84 RBP4 (0.52) MAPTKMT2AMAPK1L3MBTL1CA12
SCHEMBL6560749 0.83 MAPT (0.49) MAPTKMT2AMAPK1GAAALDH1A1
SCHEMBL27534217 0.82 KMT2A (0.59) MAPTKMT2AMAPK1CA12CA1
SCHEMBL6781975 0.81 MAPT (0.41) MAPTKMT2AMAPK1GAAALDH1A1

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 MAPT 4877/4885KMT2A 2664/4885MAPK1 430/4885

“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.