SCHEMBL18686703

SCHEMBL18686703

Cc1ccc(OC(C)C)c(NC2CCNCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.39
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.38
SLC6A4 P31645 5/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A3 Q01959 2/20 0.35
BRPF1 P55201 1/20 0.35
GAK O14976 1/20 0.35
ITK Q08881 1/20 0.35
MERTK Q12866 1/20 0.35
HTR2C P28335 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR1A P08908 2/20 0.34

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
SCHEMBL82947 0.77 BRD4 (0.48) BRD4ATAD2IRAK4ITKHTR2C
Hydrochloric Acid SCHEMBL69124 0.76 BRD4 (0.47) BRD4ATAD2IRAK4ITKHTR2C
SCHEMBL83376 0.74 BRD4 (0.48) BRD4ATAD2IRAK4SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL69073 0.73 BRD4 (0.47) BRD4ATAD2IRAK4SLC6A4SLC6A2
SCHEMBL427843 0.72 BRD4 (0.41) BRD4ATAD2IRAK4ITKHTR2C
SCHEMBL6709573 0.72 TSHR (0.41) BRD4ATAD2IRAK4SLC6A4SLC6A2
SCHEMBL19507338 0.72 ALDH1A1 (0.46) SLC6A4ALDH1A1
SCHEMBL13419405 0.72 BRD4 (0.43) BRD4ATAD2IRAK4SLC6A4SLC6A2
SCHEMBL28280282 0.71 ALDH1A1 (0.42) ALDH1A1
SCHEMBL6154413 0.69 IRAK4 (0.48) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150592-B1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO LTD (CN) 2023-08-30 EP disclosed
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2018-07-17 US disclosed
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) 2017-08-31 US disclosed
EP-3150592-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF Beijing Pearl Biotechnology Limited Liability Company (CN) 2017-04-05 EP 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-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF ALK, BRAF, ABL1 TOP2A 2800/4885BRD4 3609/4885ATAD2 4111/4885
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof ALK, BRAF, ABL1 TOP2A 2800/4885BRD4 3609/4885ATAD2 4111/4885

“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.