SCHEMBL2862896

SCHEMBL2862896

O=C(Nc1ccncc1)C(Cl)(Cl)Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.59
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TAAR1 Q96RJ0 2/20 0.52
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NT5E P21589 1/20 0.50
JAK2 O60674 3/20 0.49
TYK2 P29597 3/20 0.49
JAK1 P23458 1/20 0.49

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
SCHEMBL14571967 0.81 MDM2 (0.61) MDM2KMT2AMEN1ALDH1A1HTT
SCHEMBL4366118 0.79 MDM2 (0.59) MDM2KMT2AMEN1MAPTHTT
SCHEMBL334744 0.79 L3MBTL1 (0.72) MDM2ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL1764510 0.78 MAPT (0.85) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL29054929 0.78 MDM2 (0.57) MDM2KMT2AMEN1HTTKDM4E
SCHEMBL2858634 0.77 RAB9A (0.59) KMT2AMEN1ALDH1A1MAPTHPGD
Triclacetamol SCHEMBL29385347 0.77 MAPT (0.63) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL26343280 0.76 MDM2 (0.67) MDM2KMT2AMEN1KDM4EL3MBTL1
SCHEMBL11422852 0.75 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL6933661 0.75 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPTHPGD

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
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 EP 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-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 MDM2 3734/4885KMT2A 922/4885MEN1 4666/4885

“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.