SCHEMBL6041183

SCHEMBL6041183

CC(C)(C)OC(=O)Nc1ncc(C(=O)C(=O)Nc2cccc(Cl)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
CDK1 P06493 1/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
LMNA P02545 6/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HTT P42858 3/20 0.42
GAA P10253 1/20 0.42
LCK P06239 2/20 0.41
HPGD P15428 3/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ALDH1A1 P00352 4/20 0.40

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
SCHEMBL6041179 0.88 SYK (0.42) MAPTNPC1RAB9ALCKHPGD
SCHEMBL6041165 0.84 SMN1; SMN2 (0.41) MAPTEGFRNPC1RAB9ALCK
SCHEMBL5026040 0.80 MAPT (0.43) MAPTCDK1EGFRSRCLMNA
SCHEMBL3790245 0.78 HPGD (0.63) MAPTCDK1EGFRSRCLMNA
SCHEMBL5027792 0.76 CA1 (0.44) CDK1NPC1RAB9ALCKHPGD
SCHEMBL29632538 0.75 KDM4E (0.51) MAPTLMNANPC1RAB9ALCK
SCHEMBL5023749 0.75 CA1 (0.43) CDK1LCKHPGDALDH1A1SMN1; SMN2
SCHEMBL21394890 0.74 S1PR3 (0.46) MAPTLMNALCK
SCHEMBL29358752 0.74 S1PR3 (0.46) MAPTLMNALCK
SCHEMBL1984390 0.74 CA1 (0.45) CDK1NPC1RAB9AHTTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-03-02 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 (1 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 MAPT 1921/4885CDK1 16/4885EGFR 925/4885

“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.