SCHEMBL3431002

SCHEMBL3431002

[O]CCNC1CCC(OP(=O)(O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
INPP5A Q14642 3/20 0.42
SMPD1 P17405 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
ITPR3 Q14573 7/20 0.32
ITPR2 Q14571 3/20 0.32
ITPR1 Q14643 3/20 0.32
INPPL1 O15357 1/20 0.31
AKT1 P31749 1/20 0.31
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31

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
SCHEMBL3431004 0.86 INPP5A (0.42) INPP5ASMPD1S1PR4S1PR1S1PR3
SCHEMBL10241873 0.80 INPP5A (0.43) INPP5ASMPD1S1PR4S1PR1S1PR3
SCHEMBL3430655 0.76
SCHEMBL2238965 0.76
SCHEMBL2149479 0.71 INPP5A (0.52) INPP5ASMPD1ITPR3ITPR2ITPR1
SCHEMBL2238021 0.71
SCHEMBL6026425 0.70 INPP5A (0.41) INPP5AS1PR4S1PR1S1PR3ANPEP
SCHEMBL3431189 0.70 EPHX2 (0.44)
SCHEMBL18501082 0.69 S1PR4 (0.37) S1PR4S1PR1S1PR3ANPEPERAP2
SCHEMBL15105636 0.69 INPP5A (0.50) INPP5ASMPD1ITPR3ITPR2ITPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 INPP5A 1058/4885SMPD1 1752/4885S1PR4 4679/4885

“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.