SCHEMBL3545772

SCHEMBL3545772

CC(C)NC(=O)CCNC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
FAAH O00519 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
EPHX1 P07099 3/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CXCR4 P61073 1/20 0.38

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
SCHEMBL13677593 0.81 SMN1; SMN2 (0.44) EPHX2KMT2ASMN1; SMN2EPHX1KDM4E
SCHEMBL3543759 0.78 EPHX1 (0.47) EPHX2KMT2AFAAHSMN1; SMN2EPHX1
SCHEMBL3546747 0.77 SMN1; SMN2 (0.39) EPHX2KMT2AMEN1SMN1; SMN2EPHX1
SCHEMBL16509284 0.76 CXCR4 (0.42) EPHX2KMT2ASMN1; SMN2EPHX1RAB9A
SCHEMBL18743820 0.75 KDM1A (0.47) KMT2AMEN1FAAHMAPK1EPHX1
SCHEMBL14007446 0.75 CXCR4 (0.45) EPHX2KMT2ASMN1; SMN2EPHX1RAB9A
SCHEMBL28549536 0.74 ALDH1A1 (0.53) EPHX2SMN1; SMN2EPHX1KDM4EALDH1A1
SCHEMBL20857323 0.73 HPGD (0.56) KMT2AMEN1FAAHMAPK1SMN1; SMN2
SCHEMBL13368150 0.73 SMN1; SMN2 (0.53) EPHX2KMT2AMEN1FAAHMAPK1
SCHEMBL619500 0.73 EPHX2 (0.62) EPHX2SMN1; SMN2KDM4EALDH1A1CXCR4

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
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 KEEGAN KATHLEEN S 2010-04-29 US disclosed
US-7608618-B2 Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 ICOS CORPORATION (US) 2009-10-27 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-20070185013-A1 Use of chk1 inhibitors to control cell proliferation ICOS CORPORATION (US) 2007-08-09 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 (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-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 CHEK1, PCNA, CHEK2 EPHX2 2850/4885KMT2A 1546/4885MEN1 1983/4885
US-20070185013-A1 Use of chk1 inhibitors to control cell proliferation CHEK1, CHEK2, CDC25C EPHX2 2471/4885KMT2A 1006/4885MEN1 2199/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 EPHX2 1438/4885KMT2A 4680/4885MEN1 1408/4885

“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.