SCHEMBL5025301

SCHEMBL5025301

Nc1ncc(CC(=O)Nc2ccc(F)c(Cl)c2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
KDM4E B2RXH2 1/20 0.50
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
NPC1 O15118 1/20 0.48
FABP4 P15090 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HPGD P15428 1/20 0.46
SLC2A1 P11166 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FADS1 O60427 1/20 0.45

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
SCHEMBL5025176 0.89 ALDH1A1 (0.48) TSHRKDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL5025349 0.83 L3MBTL1 (0.55) KMT2AMEN1MAPTALDH1A1
SCHEMBL707268 0.81 KMT2A (0.55) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL5027766 0.80 SMN1; SMN2 (0.46) TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL5045422 0.78 KMT2A (0.46) NPC1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5027769 0.78 TSHR (0.45) TSHRKDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL28361719 0.76 TSHR (0.43) TSHRNPC1KMT2AMEN1SMN1; SMN2
SCHEMBL14027409 0.73 L3MBTL1 (0.60) TSHRKDM4EFABP4KMT2AMEN1
SCHEMBL20219039 0.73 TSHR (0.76) TSHRKDM4ENPC1FABP4KMT2A
SCHEMBL20014619 0.72 HRH3 (0.53) KDM4ENPC1ALDH1A1SMN1; SMN2

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 TSHR 2960/4885KDM4E 1848/4885PIK3CD 362/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB TSHR 3868/4885KDM4E 1468/4885PIK3CD 204/4885

“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.