SCHEMBL3429276

SCHEMBL3429276

O=P(O)(O)OCCN1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ANPEP P15144 1/20 0.44
ERAP2 Q6P179 1/20 0.44
SIGMAR1 Q99720 2/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
CXCR4 P61073 2/20 0.37
LTA4H P09960 1/20 0.36

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
SCHEMBL3429763 0.90 MEN1 (0.45) MEN1KMT2AANPEPERAP2SIGMAR1
SCHEMBL3427720 0.89 CXCR4 (0.43) MEN1KMT2AANPEPERAP2SIGMAR1
SCHEMBL7521230 0.82 MAPT (0.45) MEN1KMT2AANPEPERAP2POLB
SCHEMBL18705243 0.80 ANPEP (0.39) MEN1KMT2AANPEPERAP2SIGMAR1
SCHEMBL14407788 0.78 ALDH1A1 (0.41) MEN1KMT2AKDM4EALDH1A1
SCHEMBL3428964 0.78 LPAR3 (0.35)
SCHEMBL16300835 0.78 LPAR3 (0.39) KDM4EALDH1A1LTA4H
SCHEMBL3428966 0.78 ALDH1A1 (0.41) MEN1KMT2AKDM4EALDH1A1
SCHEMBL22213099 0.77 LPAR3 (0.47) MEN1KMT2ASIGMAR1POLBALDH1A1
SCHEMBL3490194 0.77 CSNK2A2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157117-A Phospholipid 日本精化株式会社 2023-05-23 CN 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 (1 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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 MEN1 241/4885KMT2A 2028/4885ANPEP 3317/4885

“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.