SCHEMBL5046571

SCHEMBL5046571

CC(C)N(CC(O)C[O])C(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 16/20 0.38
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5041947 1.00 ABCB1 (0.38) ABCB1MEN1KMT2AHPGDL3MBTL1
SCHEMBL5046551 1.00 ABCB1 (0.38) ABCB1MEN1KMT2AHPGDL3MBTL1
SCHEMBL7579561 0.77
SCHEMBL5046552 0.76 LMNA (0.42) ABCB1MEN1KMT2A
SCHEMBL22215204 0.76 TSHR (0.40) ABCB1MEN1KMT2A
SCHEMBL5041950 0.76 LMNA (0.42) ABCB1MEN1KMT2A
SCHEMBL723158 0.76 LMNA (0.42) ABCB1MEN1KMT2A
SCHEMBL13875334 0.73 ABCB1 (0.35) ABCB1
SCHEMBL7571489 0.73 FDPS (0.33)
SCHEMBL11136 0.72

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 17 patents. 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-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
US-7371765-B2 Quinoline derivatives having VEGF inhibiting activity ASTRAZENECA AB (SE) 2008-05-13 US disclosed
US-7074800-B1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2006-07-11 US disclosed
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB 2006-01-05 US disclosed
US-6887874-B2 Cinnoline compounds ASTRAZENECA AB (SE) 2005-05-03 US disclosed
US-20030212055-A1 Cinnoline compounds ASTRAZENECA AB (SE) 2003-11-13 US disclosed
US-20030207878-A1 Chemical compounds ASTRAZENECA AB (SE) 2003-11-06 US disclosed
EP-1313726-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-28 EP 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
WO-2002016348-A1 ANTIANGIOGENIC BICYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 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
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP 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-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR ABCB1 136/4885MEN1 2314/4885KMT2A 3862/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 ABCB1 479/4885MEN1 188/4885KMT2A 2471/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 ABCB1 490/4885MEN1 182/4885KMT2A 3184/4885
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors FLT4, NOS3, FLT1 ABCB1 1919/4885MEN1 2932/4885KMT2A 3636/4885

“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.