SCHEMBL4542917

SCHEMBL4542917

CCOc1nc(NC)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
BCHE P06276 3/20 0.50
ACHE P22303 3/20 0.50
GAA P10253 1/20 0.50
APP P05067 1/20 0.48
SCN9A Q15858 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
RAD52 P43351 1/20 0.46

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
SCHEMBL4541390 0.81 KDM4E (0.50) KMT2AMEN1L3MBTL1POLBMAPT
SCHEMBL3871867 0.79 TRIM58 (0.44) NUDT1KMT2AL3MBTL1POLBMAPT
SCHEMBL20610507 0.78 KMT2A (0.59) KMT2AMEN1L3MBTL1POLBMAPT
SCHEMBL3552942 0.77 L3MBTL1 (0.64) KMT2AMEN1L3MBTL1POLBMAPT
SCHEMBL3864555 0.76 ALDH1A1 (0.43) NUDT1KMT2AMEN1POLBMAPT
SCHEMBL4541287 0.76 MEN1 (0.50) KMT2AMEN1L3MBTL1POLBMAPT
SCHEMBL7673162 0.75 MEN1 (0.83) KMT2AMEN1L3MBTL1POLBMAPT
SCHEMBL638096 0.74 L3MBTL1 (0.57) KMT2AMEN1L3MBTL1POLBMAPT
SCHEMBL26210661 0.73 LRRK2 (0.50)
SCHEMBL12409606 0.73 KMT2A (0.54) KMT2AMEN1L3MBTL1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 EP disclosed
US-7498335-B2 Method of producing an antiangiogenic or vascular permeability reducing effect ASTRAZENECA AB (CH) 2009-03-03 US disclosed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP disclosed
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB 2006-01-05 US disclosed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 EP disclosed
EP-1553097-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE AstraZeneca AB (SE) 2005-07-13 EP disclosed
EP-1154774-B1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
US-20030225111-A1 Therapy ASTRAZENECA AB (SE) 2003-12-04 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 (3 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 NUDT1 690/4885KMT2A 3862/4885MEN1 2314/4885
US-20030225111-A1 Therapy VEGFA, AQP1, FLT1 NUDT1 514/4885KMT2A 2227/4885MEN1 1359/4885
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors FLT4, NOS3, FLT1 NUDT1 1848/4885KMT2A 3636/4885MEN1 2932/4885

“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.