SCHEMBL5029591

SCHEMBL5029591

O=C(Cc1cnc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)s1)Nc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.47
KCNJ3 P48549 1/20 0.47
MAPT P10636 5/20 0.47
CTPS1 P17812 7/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5 Q00535 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL5027736 0.88 AURKA (0.49) MAPTLMNAMEN1KMT2AHPGD
SCHEMBL5027769 0.87 TSHR (0.45) MAPTLMNAMEN1KMT2ACCNE1
SCHEMBL5025190 0.85 SMN1; SMN2 (0.42) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5026015 0.83 CCNE1 (0.44) MAPTMEN1KMT2AALDH1A1CCNE1
SCHEMBL5045081 0.78 CCNE1 (0.42) MAPTMEN1KMT2AALDH1A1CCNE1
SCHEMBL5025993 0.78 SCD (0.45) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5025349 0.78 L3MBTL1 (0.55) KCNJ5KCNJ3MAPTCTPS1LMNA
SCHEMBL5046778 0.77 CCNE1 (0.45) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL27543447 0.74 ALDH1A1 (0.51) LMNAALDH1A1CCNE1CDK2CDK5
SCHEMBL5041435 0.71 AURKA (0.53) MAPTMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407946-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2008-08-05 US disclosed
EP-1299381-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2008-05-07 EP disclosed
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
CN-1267431-C Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-08-02 CN disclosed
US-20060058523-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2006-03-16 US disclosed
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-03-02 US disclosed
EP-1575946-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2005-09-21 EP disclosed
US-6919338-B2 Substituted quinazoline derivatives and their use as inhibitors of aurora-2 kinase ASTRAZENECA AB (SE) 2005-07-19 US disclosed
WO-2004058752-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2004-07-15 WO disclosed
CN-1496364-A Substituted quinazoline derivatives and their use as inhibitors 2004-05-12 CN disclosed
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2003-10-02 US disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 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 (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-20060058523-A1 Quinazoline compounds NDUFS5, ABL1, NDUFS7 KCNJ5 558/4885KCNJ3 1084/4885MAPT 1301/4885
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKB, AURKC KCNJ5 1677/4885KCNJ3 1404/4885MAPT 1921/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB KCNJ5 1647/4885KCNJ3 1490/4885MAPT 1809/4885

“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.