SCHEMBL3428870

SCHEMBL3428870

CCCN(CCCO)CC1CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
RORC P51449 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MLYCD O95822 1/20 0.32

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
SCHEMBL12443378 0.88 KDM4E (0.40) KDM4EHSD17B10DRD2DRD3ALDH1A1
SCHEMBL13472656 0.85 DRD2 (0.41) KDM4EHSD17B10DRD2DRD3ALDH1A1
SCHEMBL3426497 0.85 OPRM1 (0.36) KDM4EHSD17B10DRD2DRD3OPRM1
SCHEMBL172226 0.85 DRD2 (0.46) KDM4EHSD17B10DRD2DRD3ALDH1A1
SCHEMBL13662616 0.83 DRD2 (0.40) KDM4EHSD17B10DRD2DRD3ALDH1A1
SCHEMBL15746838 0.82 SMN1; SMN2 (0.36) KDM4EHSD17B10ALDH1A1OPRM1OPRD1
SCHEMBL11598263 0.80 PLG (0.36) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL3428866 0.80 KDM4E (0.39) KDM4EHSD17B10DRD2DRD3ALDH1A1
SCHEMBL11599522 0.79 OPRM1 (0.31) OPRM1OPRD1OPRK1
SCHEMBL21359084 0.79 OPRM1 (0.42) DRD2DRD3OPRM1OPRD1OPRK1

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 8 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
US-20060178382-A1 Chinazoline derivatives as aurora kinase inhibitors ASTRAZENECA AB (SE) 2006-08-10 US disclosed
EP-1644361-A1 CHINAZOLINE DERIVATIVES AS AURORA KINASE INHIBITORS Astrazeneca AB (SE) 2006-04-12 EP disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004113324-A1 CHINAZOLINE DERIVATIVES AS AURORA KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-12-29 WO 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 (2 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-20060178382-A1 Chinazoline derivatives as aurora kinase inhibitors AURKA, AURKC, AURKB KDM4E 1084/4885HSD17B10 1752/4885DRD2 4862/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 KDM4E 3366/4885HSD17B10 3149/4885DRD2 2624/4885

“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.