Sugi Predict

Sugi Predict / Compounds / SCHEMBL4299761

SCHEMBL4299761

SCHEMBL4299761

CC(C)(C)OCCN1CCC(Oc2cc(F)cc3nc[nH]c(=O)c23)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 4/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ HTR1A P08908 5/20 0.34
▸ HTR1D P28221 4/20 0.34
▸ DRD3 P35462 4/20 0.34
▸ HTR1B P28222 3/20 0.34
▸ HTR7 P34969 3/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ ADRB1 P08588 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ PARP1 P09874 2/20 0.34
▸ EGFR P00533 2/20 0.33
▸ HRH1 P35367 2/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 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
SCHEMBL4298039 0.88 BRD4 (0.42) KCNH2CACNA1IDRD2PARP1EGFR
SCHEMBL4298409 0.84 SRC (0.43) EGFR
SCHEMBL3274974 0.80 GPR119 (0.46) —
SCHEMBL3193077 0.75 LRRK2 (0.41) SCDPARP1EGFR
SCHEMBL16747789 0.71 SRC (0.49) EGFR
SCHEMBL4266694 0.71 SRC (0.53) EGFR
SCHEMBL3275698 0.70 SRC (0.51) EGFR
SCHEMBL3275911 0.70 L3MBTL1 (0.35) PARP1
SCHEMBL16742334 0.70 SRC (0.53) EGFR
SCHEMBL16747780 0.70 PIK3CD (0.39) DRD2EGFR

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
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
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 (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 SCD 4091/4885KCNH2 1638/4885CACNA1I 3726/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB SCD 4295/4885KCNH2 1993/4885CACNA1I 3271/4885

“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.