SCHEMBL12865160

SCHEMBL12865160

Cc1cc(CO)cc(N2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
KDM4E B2RXH2 2/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
AGXT P21549 1/20 0.41
JAK1 P23458 1/20 0.41

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
SCHEMBL10175140 0.85 LMNA (0.50) LMNAKDM4EMAPTMEN1ALDH1A1
SCHEMBL14032718 0.82 MAPT (0.48) LMNAKDM4EMAPTALDH1A1HTT
SCHEMBL12865181 0.82 LMNA (0.61) LMNAKDM4EMAPTMEN1ALDH1A1
SCHEMBL19007325 0.82 LMNA (0.66) LMNAKDM4EMAPTMEN1ALDH1A1
SCHEMBL14032322 0.81 LMNA (0.47) LMNAKDM4EMAPTMEN1ALDH1A1
SCHEMBL1662765 0.80 GPR183 (0.45) LMNAKDM4EMAPTMEN1ALDH1A1
SCHEMBL978877 0.80 PIK3CA (0.46) LMNAKDM4EMAPTMEN1ALDH1A1
SCHEMBL14032618 0.80 HRH3 (0.46) LMNAKDM4EMAPTMEN1ALDH1A1
SCHEMBL9232165 0.77 LMNA (0.57) LMNAKDM4EMAPTMEN1ALDH1A1
SCHEMBL14032704 0.77 KDM4E (0.45) LMNAKDM4EMAPTALDH1A1NOS3

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-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 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 (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-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 EPHB4, EPHB1, NME2 LMNA 4146/4885KDM4E 1632/4885MAPT 3593/4885
US-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 LMNA 4333/4885KDM4E 2176/4885MAPT 3778/4885

“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.