SCHEMBL6041179

SCHEMBL6041179

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ESRRG P62508 2/20 0.39
LCK P06239 3/20 0.39
TAAR1 Q96RJ0 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL6041183 0.88 MAPT (0.44) NPC1RAB9AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL6041165 0.86 SMN1; SMN2 (0.41) SYKNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5045023 0.80 AURKA (0.52) SYKL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL5025975 0.80 KDM4E (0.42) SYKNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL5474962 0.78 MEN1 (0.56) SYKNPC1RAB9AKDM4EALDH1A1
SCHEMBL5027792 0.76 CA1 (0.44) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29632538 0.75 KDM4E (0.51) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL5029479 0.75 NPC1 (0.36) SYKNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5029472 0.75 NPC1 (0.36) SYKNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5023749 0.75 CA1 (0.43) SMN1; SMN2KDM4EALDH1A1HPGDLCK

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 2 patents. 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
US-6919338-B2 Substituted quinazoline derivatives and their use as inhibitors of aurora-2 kinase ASTRAZENECA AB (SE) 2005-07-19 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 SYK 874/4885NPC1 2593/4885RAB9A 2905/4885

“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.