SCHEMBL5027766

SCHEMBL5027766

Nc1ncc(CC(=O)Nc2cc(F)cc(F)c2)s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
HDAC1 Q13547 4/20 0.39
POLB P06746 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
AKT1 P31749 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC3 O15379 3/20 0.38
HDAC2 Q92769 3/20 0.38
NCOR2 Q9Y618 2/20 0.38
HRH2 P25021 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL707268 0.87 KMT2A (0.55) SMN1; SMN2POLBL3MBTL1MEN1KMT2A
SCHEMBL5025176 0.83 ALDH1A1 (0.48) SMN1; SMN2HDAC1AKT1TSHRHDAC3
SCHEMBL5025301 0.80 TSHR (0.53) SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL5045422 0.79 KMT2A (0.46) SMN1; SMN2HDAC1POLBL3MBTL1HDAC3
SCHEMBL5025349 0.76 L3MBTL1 (0.55) L3MBTL1MEN1KMT2AHDAC6
SCHEMBL4595357 0.75 SMN1; SMN2 (0.53) SMN1; SMN2HDAC1POLBTSHRHDAC2
SCHEMBL28361719 0.74 TSHR (0.43) SMN1; SMN2HDAC1TSHRL3MBTL1HDAC3
SCHEMBL5026015 0.74 CCNE1 (0.44) SMN1; SMN2POLBPSEN1PSEN2APH1B
SCHEMBL4594960 0.73 HDAC1 (0.46) SMN1; SMN2HDAC1POLBTSHRHDAC3
SCHEMBL19996064 0.72 MAPT (0.55) SMN1; SMN2POLBL3MBTL1MEN1KMT2A

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
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-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-03-02 US disclosed
US-6919338-B2 Substituted quinazoline derivatives and their use as inhibitors of aurora-2 kinase ASTRAZENECA AB (SE) 2005-07-19 US 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 (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-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKB, AURKC SMN1; SMN2 3417/4885HDAC1 395/4885POLB 1635/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB SMN1; SMN2 3412/4885HDAC1 316/4885POLB 1436/4885

“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.