SCHEMBL1878679

SCHEMBL1878679

Cc1ccnc(-n2c(C)ccc2C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.53
ALDH1A1 P00352 7/20 0.53
GAA P10253 3/20 0.53
GLA P06280 2/20 0.53
HPGD P15428 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX12 P18054 2/20 0.41
MPI P34949 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
PMM2 O15305 1/20 0.41
POLB P06746 1/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 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
SCHEMBL28760046 0.79 KDM4E (0.50) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL15984839 0.76 HCRTR1 (0.44) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL19380463 0.75 KDM4E (0.50) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL17051399 0.74 KMT2A (0.44) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL13052936 0.73 KDM4E (0.52) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL961773 0.72 HTT (0.59) MEN1KMT2AMAPTHSD17B10POLB
SCHEMBL1876393 0.71 KDM4E (0.43) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL2666269 0.71 CYP3A4 (0.42) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL13806030 0.71 SORD (0.55) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7904079 0.71 SORD (0.55) KDM4EALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1832584-B1 PYRIMIDINYLISOXAZOLE DERIVATIVE ASKA PHARM CO LTD (JP) 2011-12-21 EP disclosed
US-7939536-B2 5-[(2-chlorophenyl)acetylamino]-3-(4-fluorophenyl)-4-(4-pyrimidinyl)isoxazole; p 38MAP kinase inhibitor; tumor necrosis factor, interleukin, or cyclooxygenase-II related diseases; antiinflammatory, anticarcinogenic, antidiabetic agent ASKA PHARMACEUTICAL CO., LTD. (JP) 2011-05-10 US disclosed
US-20080114003-A1 Pyrimidinylisoxazole Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-15 US disclosed
EP-1832584-A1 PYRIMIDINYLISOXAZOL DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2007-09-12 EP disclosed
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 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 (3 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 KDM4E 2600/4885ALDH1A1 2901/4885GAA 2694/4885
US-20080114003-A1 Pyrimidinylisoxazole Derivatives MAPK3, MAPK7, MAP3K7 KDM4E 1483/4885ALDH1A1 2957/4885GAA 4255/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 KDM4E 2286/4885ALDH1A1 1603/4885GAA 2041/4885

“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.