SCHEMBL4462897

SCHEMBL4462897

c1nc(N2CCNCC2)cc(N2CCOCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KMO O15229 1/20 0.57
CYP1A2 P05177 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HRH4 Q9H3N8 1/20 0.49
LRRK2 Q5S007 2/20 0.48
PIK3CB P42338 1/20 0.48
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
EGLN2 Q96KS0 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.46
HIF1AN Q9NWT6 1/20 0.46
ELOVL1 Q9BW60 1/20 0.46
NPC1 O15118 1/20 0.46
ATM Q13315 1/20 0.46
ADRB1 P08588 1/20 0.45

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
SCHEMBL31110333 0.90 CYP2C19 (0.68) CYP2C19HTTSMN1; SMN2KMOALDH1A1
SCHEMBL30818700 0.80 CYP2C19 (0.50) CYP2C19HTTSMN1; SMN2KMOALDH1A1
SCHEMBL434846 0.80 POLB (0.55) HTTSMN1; SMN2ALDH1A1PIK3CBADRB1
SCHEMBL1774531 0.80 CYP2C19 (0.61) CYP2C19HTTSMN1; SMN2KMOCYP1A2
SCHEMBL9069830 0.80 CASP1 (0.71) HTTSMN1; SMN2ALDH1A1HRH4PIK3CB
SCHEMBL21423998 0.79 BPTF (0.62) HTTSMN1; SMN2ALDH1A1NPC1
SCHEMBL30818737 0.78 PIK3CB (0.49) CYP2C19KMOCYP1A2ALDH1A1HRH4
SCHEMBL807666 0.78 CYP2C19 (0.58) CYP2C19HTTSMN1; SMN2KMOCYP1A2
SCHEMBL4137311 0.78 KMO (0.61) CYP2C19HTTSMN1; SMN2KMOCYP1A2
SCHEMBL14538234 0.78 CYP1A2 (0.57) CYP2C19CYP1A2ALDH1A1HRH4LRRK2

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
CN-101595103-A Pyrimidine derivatives ASTRAZENECA AB (SE) 2009-12-02 CN disclosed
US-20090270390-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA (SE) 2009-10-29 US disclosed
EP-2057147-A1 PYRIMIDINE DERIVATIVES Astra Zeneca AB (SE) 2009-05-13 EP disclosed
WO-2008032064-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2007066099-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-14 WO 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-20090270390-A1 PYRIMIDINE DERIVATIVES TYMP, DPYD, TYMS CYP2C19 629/4885HTT 3206/4885SMN1; SMN2 2744/4885

“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.