SCHEMBL2074791

SCHEMBL2074791

CCCC(=O)Nc1ccnc(N2CCN(C3CCCC3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.55
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PTPN11 Q06124 1/20 0.45
MCHR1 Q99705 1/20 0.43
HTR1F P30939 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR4 P51679 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BCHE P06276 1/20 0.39
GRIN2B Q13224 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
SCHEMBL2073475 0.86 ACHE (0.54) ACHEKDM4EALDH1A1PTPN11MCHR1
SCHEMBL2075359 0.83 ACHE (0.57) ACHEMAPTKDM4EALDH1A1PTPN11
SCHEMBL4190163 0.83 NPC1 (0.47) MAPTKDM4EALDH1A1HTR1FMEN1
SCHEMBL2073001 0.82 ACHE (0.59) ACHEKDM4EALDH1A1PTPN11KMT2A
SCHEMBL2075472 0.80 HRH4 (0.46) ACHEMAPTKDM4EALDH1A1PTPN11
SCHEMBL2076041 0.80 ACHE (0.57) ACHEKDM4EALDH1A1PTPN11KMT2A
SCHEMBL4177530 0.78 MAPT (0.53) MAPTKDM4EALDH1A1MCHR1HPGD
SCHEMBL2075178 0.77 CCNE1 (0.57) ACHEKDM4EALDH1A1PTPN11HTR1F
SCHEMBL2072889 0.77 HRH4 (0.56) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2075454 0.77 ACHE (0.59) ACHEMAPTKDM4EALDH1A1PTPN11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902184-B2 Piperazinyl pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
CN-101448820-A Piperidinyl pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-06-03 CN disclosed
EP-2032554-A1 PIPERIDINYL PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-11 EP disclosed
WO-2007137955-A1 PIPERIDINYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed
US-20070281921-A1 Piperidinyl pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2007-12-06 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-20070281921-A1 Piperidinyl pyrimidine derivatives HRH2, P2RX5, P2RX3 ACHE 3627/4885MAPT 4288/4885KDM4E 1636/4885

“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.