SCHEMBL6041165

SCHEMBL6041165

CC(C)(C)OC(=O)Nc1ncc(C(=O)C(=O)Nc2ccc(F)c(F)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SYK P43405 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
RORC P51449 1/20 0.37
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5029479 0.88 NPC1 (0.36) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL5029472 0.88 NPC1 (0.36) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL6041179 0.86 SYK (0.42) SMN1; SMN2NPC1RAB9AMAPTSYK
SCHEMBL6041183 0.84 MAPT (0.44) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL5023839 0.79 CDK2 (0.39) SMN1; SMN2NPC1RAB9ASYKRORC
SCHEMBL30681937 0.77 HPGD (0.51) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL941486 0.77 HPGD (0.51) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL5027792 0.76 CA1 (0.44) SMN1; SMN2NPC1RAB9AHPGDCCNE1
SCHEMBL5023749 0.75 CA1 (0.43) SMN1; SMN2HPGDCCNE1CDK2CA1
SCHEMBL21394896 0.74 P2RY2 (0.42) RORCCCNE1CDK2CA1CA2

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 3 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
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2003-10-02 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 (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 3417/4885NPC1 2593/4885RAB9A 2905/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB SMN1; SMN2 3412/4885NPC1 1551/4885RAB9A 1702/4885

“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.