SCHEMBL4295358

SCHEMBL4295358

OCCCN1CC[C@H](O)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
HRH3 Q9Y5N1 10/20 0.43
HRH2 P25021 3/20 0.43
HRH1 P35367 3/20 0.43
LTA4H P09960 1/20 0.39
HTR1A P08908 1/20 0.38
KCNA3 P22001 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
SCHEMBL4295718 1.00 PDCD1 (0.45) PDCD1CD274HRH3HRH2HRH1
SCHEMBL1360023 1.00 PDCD1 (0.45) PDCD1CD274HRH3HRH2HRH1
SCHEMBL28960041 0.89 PDCD1 (0.49) PDCD1CD274HRH3HRH2HRH1
SCHEMBL2116341 0.88 HTR1A (0.49) PDCD1CD274HRH3HRH2HRH1
SCHEMBL9912480 0.86
SCHEMBL1099390 0.86 KCNA3 (0.43) HRH3HRH2HRH1KCNA3
SCHEMBL9912445 0.86
SCHEMBL1361943 0.86
Hydrochloric Acid SCHEMBL27790308 0.84 KCNA3 (0.42) HRH3HRH2HRH1KCNA3
SCHEMBL28960037 0.84 PDCD1 (0.44) PDCD1CD274HRH3HRH2HRH1

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 4 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 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
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 US 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-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB PDCD1 1816/4885CD274 3516/4885HRH3 1050/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB PDCD1 2025/4885CD274 3979/4885HRH3 1536/4885

“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.