SCHEMBL4375579

SCHEMBL4375579

CCCCN(CCCC)CCNC(=O)n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
QPCT Q16769 1/20 0.35
TSHR P16473 2/20 0.35
AHR P35869 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34
ACKR3 P25106 1/20 0.33

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
SCHEMBL15212788 0.94 TSHR (0.39) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL26677849 0.90 L3MBTL1 (0.35) ALDH1A1SMN1; SMN2AHRBCHEACHE
SCHEMBL9971314 0.86 ALDH1A1 (0.43) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL4256419 0.85 QPCT (0.43) KMT2ALMNAMEN1SMN1; SMN2QPCT
SCHEMBL30880341 0.84 NAAA (0.45) KDM4ESMN1; SMN2QPCTMAPK1HTT
SCHEMBL7557165 0.82 NAAA (0.48) KDM4ESMN1; SMN2MAPK1HTT
SCHEMBL10057549 0.82 NAAA (0.48) KDM4ESMN1; SMN2MAPK1HTT
SCHEMBL2851679 0.82 NAAA (0.48) KDM4ESMN1; SMN2MAPK1HTT
SCHEMBL5257422 0.82 QPCT (0.45) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL12755072 0.81 NAMPT (0.38) KMT2AALDH1A1MEN1SMN1; SMN2AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP disclosed
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP disclosed
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed
US-7094769-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC (US) 2006-08-22 US disclosed
US-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2006-06-08 US disclosed
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US disclosed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 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 (2 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-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 KMT2A 2593/4885ALDH1A1 533/4885LMNA 744/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 KMT2A 2578/4885ALDH1A1 385/4885LMNA 799/4885

“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.