SCHEMBL6562212

SCHEMBL6562212

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 3/20 0.44
LMNA P02545 2/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
MAPT P10636 7/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.39
RBP4 P02753 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6559653 0.91 MAPT (0.39) LMNACA12CA1CA2CA9
SCHEMBL6561294 0.89 MAPT (0.46) PHGDHLMNAMAPTKMT2AMAPK1
SCHEMBL6562716 0.89 PHGDH (0.48) PHGDHLMNACA12CA1CA2
SCHEMBL6559695 0.88 MAPT (0.43) LMNACA12CA1CA2CA9
SCHEMBL4928452 0.87 PHGDH (0.41) PHGDHLMNACA12CA1CA2
SCHEMBL4929603 0.86 PDGFRB (0.47) MAPTKMT2ASMN1; SMN2RAB9ARBP4
SCHEMBL6559618 0.86 MAPT (0.44) PHGDHLMNACA12CA1CA2
SCHEMBL6560754 0.86 PHGDH (0.58) PHGDHLMNAKMT2AL3MBTL1CYP3A4
SCHEMBL6561018 0.86 RBP4 (0.52) LMNACA12CA1CA2CA9
SCHEMBL4925171 0.85 MAPT (0.46) PHGDHLMNACA12CA1CA2

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 PHGDH 2923/4885LMNA 3343/4885CA12 1296/4885

“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.