SCHEMBL822872

SCHEMBL822872

Cc1nc(N(C)C)nc(-c2ccccc2)c1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.56
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 3/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
XDH P47989 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HIF1A Q16665 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL10370004 0.79 NUDT1 (0.56) NUDT1ALDH1A1KDM4EHPGDTDP1
SCHEMBL10117907 0.75 ADORA2A (0.50) NUDT1ALDH1A1HPGDHSD17B10XDH
SCHEMBL10368748 0.74 NUDT1 (0.62) NUDT1ALDH1A1KDM4EHPGDTDP1
SCHEMBL2755511 0.72 KDM4E (0.40) ALDH1A1KDM4EHPGDTDP1CASP1
SCHEMBL14422887 0.72 NUDT1 (0.51) NUDT1ALDH1A1KDM4EHPGDTDP1
SCHEMBL10369716 0.71 NUDT1 (0.47) NUDT1ALDH1A1KDM4EHPGDTDP1
SCHEMBL1227746 0.69 KDM4E (0.49) NUDT1ALDH1A1KDM4EHPGDTDP1
SCHEMBL18780843 0.69 ADORA2A (0.49) NUDT1ALDH1A1KDM4EHPGDTDP1
SCHEMBL10815783 0.69 MEN1 (0.50) NUDT1ALDH1A1KDM4ETDP1CKS1B
SCHEMBL14274943 0.67 MEN1 (0.55) NUDT1ALDH1A1KDM4EHPGDMAPK1

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
US-9540407-B2 Phospholipid drug analogs UROGEN PHARMA LTD (IL) 2017-01-10 US disclosed
US-20160090395-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC, AS COLLATERAL AGENT (GB) 2016-03-31 US disclosed
US-9180183-B2 Phospholipid drug analogs TELORMEDIX SA (CH) 2015-11-10 US disclosed
US-9173936-B2 Phospholipid drug analogs TELORMEDIX SA (CH) 2015-11-03 US disclosed
US-9173935-B2 Phospholipid drug analogs TELORMEDIX SA (CH) 2015-11-03 US disclosed
US-9050319-B2 Phospholipid drug analogs TELORMEDIX, SA (CH) 2015-06-09 US disclosed
US-20130273144-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC (GB) 2013-10-17 US disclosed
US-20130267481-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC, AS COLLATERAL AGENT (GB) 2013-10-10 US disclosed
US-20130266635-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC, AS COLLATERAL AGENT (GB) 2013-10-10 US disclosed
US-20120009247-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC (GB) 2012-01-12 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 (5 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-20130267481-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 NUDT1 1425/4885ALDH1A1 3167/4885KDM4E 1139/4885
US-20130273144-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 NUDT1 1425/4885ALDH1A1 3167/4885KDM4E 1139/4885
US-20160090395-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 NUDT1 1425/4885ALDH1A1 3167/4885KDM4E 1139/4885
US-20130266635-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 NUDT1 1425/4885ALDH1A1 3167/4885KDM4E 1139/4885
US-20120009247-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 NUDT1 1425/4885ALDH1A1 3167/4885KDM4E 1139/4885

“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.