SCHEMBL3968294

SCHEMBL3968294

O=C(O)CC(=O)Oc1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
FTO Q9C0B1 1/20 0.35
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NAPRT Q6XQN6 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
PKM P14618 1/20 0.33
SHMT2 P34897 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP19A1 P11511 1/20 0.33
HTT P42858 1/20 0.33
ALOX15 P16050 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
SCHEMBL4536928 0.89 P2RX7 (0.41) P2RX7GAALMNAL3MBTL1ALDH1A1
SCHEMBL969754 0.77 TSHR (0.42) GAALMNAL3MBTL1ALDH1A1NAPRT
SCHEMBL27853660 0.77 GAA (0.54) GAAKDM4ECYP1A2MAPTLMNA
SCHEMBL15220961 0.77 ELANE (0.42) P2RX7CYP1A2MAPTLMNAALDH1A1
SCHEMBL6157107 0.75 LMNA (0.39) P2RX7KDM4EMAPTLMNAL3MBTL1
SCHEMBL9737854 0.73 ALDH1A1 (0.43) GAAKDM4EMAPTLMNAALDH1A1
SCHEMBL4538158 0.73 MAPK8 (0.43) GAALMNAALDH1A1PKMNPC1
SCHEMBL240654 0.73 GAA (0.42) P2RX7GAACYP1A2MAPTL3MBTL1
SCHEMBL4537897 0.73 L3MBTL1 (0.43) MAPTLMNAL3MBTL1ALDH1A1NAPRT
SCHEMBL1161075 0.72 KMT2A (0.37) P2RX7GAAKDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258136-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-04 US disclosed
US-20090275589-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
US-7501425-B1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyprimidines as inhibitors of cellular proliferation WARNER LAMBERT COMPANY (US) 2009-03-10 US disclosed
EP-1958946-A1 PYRIDAZINE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
EP-1080092-B1 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-07-23 EP disclosed
EP-1801112-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
US-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation DOBRUSIN ELLEN MYRA (US) 2004-03-04 US disclosed
EP-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 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-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation CCNI, CCNH, CCNA1 P2RX7 1698/4885GAA 3637/4885KDM4E 3108/4885
US-20090275589-A1 Pyridazine Compound and Use Thereof PLPBP, PNPO, PDXK P2RX7 428/4885GAA 1580/4885KDM4E 2012/4885

“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.