Sugi Predict

Sugi Predict / Compounds / SCHEMBL666149

SCHEMBL666149

SCHEMBL666149

[CH2]CCC1CCN(CCS(C)(=O)=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ GNAO1 P09471 1/20 0.34
▸ MAPK1 P28482 1/20 0.32
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTR4 Q13639 1/20 0.32
▸ NCF1 P14598 1/20 0.31
▸ ATM Q13315 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL664708 0.87 ALDH1A1 (0.33) ALDH1A1MAPK1MEN1NCF1DRD2
SCHEMBL4375093 0.86 ALDH1A1 (0.35) ALDH1A1GNAO1MAPK1CARM1PRMT6
SCHEMBL13108616 0.86 GNAO1 (0.41) ALDH1A1GNAO1HTR4DRD2DRD3
SCHEMBL17850278 0.84 ALDH1A1 (0.34) ALDH1A1GNAO1MAPK1CARM1PRMT6
SCHEMBL4375097 0.84 CHRM2 (0.37) ALDH1A1GNAO1MEN1CYP3A4CYP2D6
SCHEMBL4569266 0.83 CACNA1I (0.36) ALDH1A1GNAO1MAPK1MEN1CYP3A4
SCHEMBL4373693 0.83 ALDH1A1 (0.40) ALDH1A1GNAO1MEN1CYP3A4CYP2D6
SCHEMBL16127619 0.83 GNAO1 (0.45) ALDH1A1GNAO1HTR4DRD2DRD3
SCHEMBL12820177 0.81 DRD2 (0.34) ALDH1A1GNAO1MAPK1PRMT6NCF1
SCHEMBL4373218 0.81 ALDH1A1 (0.33) ALDH1A1MAPK1NCF1DRD2

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 — — US disclosed
US-8293902-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2012-10-23 — — US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 — — US disclosed
US-20120046300-A1 Quinazoline Derivatives as Angiogenesis Inhibitors HENNEQUIN LAURENT FRANCOIS ANDRE (FR) 2012-02-23 — — US disclosed
US-7989460-B2 potent kinase insert domain-containing receptor (KDR) inhibitors with improved selectivity and pharmacokinetics; VEGF (vascular endothelial growth factor) inhibitors; cancer and rheumatoid arthritis; e.g. 7-(2-[4-(acetylmethyl)piperazin-1-yl]ethoxy)-6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline ASTRAZENECA AB (SE) 2011-08-02 — — US disclosed
EP-2292615-A1 Quinazoline compounds AstraZeneca AB (SE) 2011-03-09 — — EP disclosed
US-20090156821-A1 Quinazoline compounds ASTRAZENECA AB 2009-06-18 — — US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 — — EP disclosed
US-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity HENNEQUIN LAURENT FRANCOIS ANDRE 2008-12-18 — — US disclosed
US-7371765-B2 Quinoline derivatives having VEGF inhibiting activity ASTRAZENECA AB (SE) 2008-05-13 — — US disclosed
EP-1311500-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-21 — — EP disclosed
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 — — EP disclosed
CN-1346271-A Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA UK LTD (SE) 2002-04-24 — — CN disclosed
WO-2002016348-A1 ANTIANGIOGENIC BICYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 — — WO disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 — — WO disclosed
WO-2002012227-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 — — WO disclosed
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 — — WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 — — EP disclosed
CN-1322202-A Quinazoline derivatives ASTRA ZENECA N V (SE) 2001-11-14 — — CN disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 — — 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-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity VEGFA, FLT1, FLT4 ALDH1A1 1187/4885GNAO1 1728/4885MAPK1 880/4885
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR ALDH1A1 822/4885GNAO1 1723/4885MAPK1 232/4885
US-20120046300-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, KDR, FLT1 ALDH1A1 850/4885GNAO1 1695/4885MAPK1 381/4885
US-20090156821-A1 Quinazoline compounds VEGFA, FLT4, FLT1 ALDH1A1 1080/4885GNAO1 1968/4885MAPK1 1802/4885

“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.