SCHEMBL6562205

SCHEMBL6562205

CCOc1nc2ccccc2nc1NC(=O)N1CCN(c2cccc(Br)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HCRTR1 O43613 1/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL7803529 0.92 CCKAR (0.43) MAPTMAPK1KMT2AMEN1HCRTR1
SCHEMBL6560277 0.89 KMT2A (0.48) MAPTMAPK1KMT2AMEN1HCRTR1
SCHEMBL6560436 0.85 MAPT (0.48) MAPTMAPK1KMT2AMEN1HTT
SCHEMBL6560420 0.85 KDM4E (0.47) MAPTMAPK1KMT2AMEN1HCRTR1
SCHEMBL6561340 0.84 HTR1A (0.46) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6559804 0.84 MAPT (0.47) MAPTMAPK1KMT2AALDH1A1KDM4E
SCHEMBL4920573 0.82 MAPT (0.48) MAPTKMT2AUSP2POLBSMN1; SMN2
SCHEMBL4929616 0.82 GAA (0.45) MAPTMAPK1KMT2AMEN1HCRTR1
SCHEMBL6562222 0.81 MAPT (0.47) MAPTMAPK1KMT2AMEN1HTT
SCHEMBL4929649 0.81 LMNA (0.44) MAPTMAPK1KMT2AMEN1HCRTR1

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 4877/4885MAPK1 430/4885KMT2A 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.