SCHEMBL3427720

SCHEMBL3427720

O=P(O)(O)OCCCN1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
LPAR3 Q9UBY5 3/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR2 Q9HBW0 2/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
XDH P47989 1/20 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
SCHEMBL3429276 0.89 MEN1 (0.44) CXCR4MEN1KMT2AANPEPERAP2
SCHEMBL3429763 0.86 MEN1 (0.45) CXCR4MEN1KMT2AANPEPERAP2
SCHEMBL21577443 0.82 HRH2 (0.41) CXCR4MEN1KMT2AANPEPERAP2
SCHEMBL3427283 0.80 CSNK2A2 (0.41) MEN1KMT2ACSNK2A2CSNK2BCSNK2A1
SCHEMBL3427278 0.80 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1CSNK2A3LPAR3
SCHEMBL18705243 0.77 ANPEP (0.39) CXCR4MEN1KMT2AANPEPERAP2
SCHEMBL8735121 0.76 GRIN2D (0.55) CXCR4MEN1KMT2AANPEPERAP2
SCHEMBL584267 0.75 MEN1 (0.51) CXCR4MEN1KMT2AHRH2HRH1
SCHEMBL9749886 0.75 GRIN2D (0.69) MAPT
SCHEMBL25226579 0.74 GRIN2D (0.50) CXCR4ANPEPERAP2ALDH1A1SMN1; SMN2

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-10849916-B2 Stable liquid formulations of cyclophosphamide and its impurities DR. REDDYS LABORATORIES LIMITED (IN) 2020-12-01 US disclosed
US-20190350948-A1 NOVEL IMPURITIES OF CYCLOPHOSPHAMIDE LIQUID FORMULATIONS AVYXA HOLDINGS, LLC (PR) 2019-11-21 US disclosed
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 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 (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-10849916-B2 Stable liquid formulations of cyclophosphamide and its impurities CXCR5, F5, BCL6 CXCR4 11/4885MEN1 2566/4885KMT2A 2529/4885
US-20190350948-A1 NOVEL IMPURITIES OF CYCLOPHOSPHAMIDE LIQUID FORMULATIONS CXCR5, CXCR6, BCL6 CXCR4 7/4885MEN1 3207/4885KMT2A 2499/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 CXCR4 2915/4885MEN1 241/4885KMT2A 2028/4885

“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.