SCHEMBL3430768

SCHEMBL3430768

C=CCN(CCO)CCC[O]

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3809578 0.85 OPRM1 (0.34) ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL3430771 0.85 OPRM1 (0.34) ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL4352034 0.84 ALDH1A1 (0.34) ALDH1A1OPRK1KDM4EMEN1KMT2A
SCHEMBL170617 0.84 OPRM1 (0.38) ALDH1A1OPRM1OPRD1OPRK1KDM4E
Hydrochloric Acid SCHEMBL7946571 0.83 OPRM1 (0.36) ALDH1A1OPRM1OPRD1OPRK1
Ammonia Solution, Strong SCHEMBL4662387 0.82 OPRM1 (0.37) ALDH1A1OPRM1OPRD1OPRK1KDM4E
SCHEMBL31711370 0.82 OPRM1 (0.37) ALDH1A1OPRM1OPRD1OPRK1KDM4E
Hydrochloric Acid SCHEMBL1234433 0.82 OPRM1 (0.40) ALDH1A1OPRM1OPRD1OPRK1KDM4E
SCHEMBL11493587 0.80 KDM4E (0.33) ALDH1A1OPRM1OPRD1OPRK1KDM4E
SCHEMBL20835283 0.80 OPRM1 (0.36) ALDH1A1OPRM1OPRD1OPRK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP claimed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US claimed
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 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
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 US 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
EP-1463506-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES Astrazeneca AB (SE) 2004-10-06 EP disclosed
WO-2003055491-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2003-07-10 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 (4 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 ALDH1A1 2797/4885OPRM1 4615/4885OPRD1 4571/4885
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB ALDH1A1 3580/4885OPRM1 4232/4885OPRD1 4387/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB ALDH1A1 3434/4885OPRM1 4455/4885OPRD1 4393/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 ALDH1A1 402/4885OPRM1 3996/4885OPRD1 3211/4885

“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.