SCHEMBL20523488

SCHEMBL20523488

COc1cc(-c2cc(Br)cnc2N)cc(NS(=O)(=O)C(C)C)c1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 3/20 0.44
NOD2 Q9HC29 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
SHMT2 P34897 1/20 0.43
FYN P06241 10/20 0.41
CHEK2 O96017 1/20 0.40
TGFBR1 P36897 2/20 0.39
RIPK2 O43353 2/20 0.39
NPC1 O15118 1/20 0.37
BRAF P15056 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL21630393 0.88 FYN (0.48) ACVR1NOD2MEN1KMT2APOLB
SCHEMBL20523675 0.86 RIPK2 (0.50) ACVR1NOD2MEN1KMT2APOLB
SCHEMBL21630446 0.83 NOD2 (0.62) ACVR1NOD2MEN1KMT2APOLB
SCHEMBL21630351 0.82 PIK3CG (0.48) ACVR1NOD2MEN1KMT2APOLB
SCHEMBL20523471 0.80 NOD2 (0.48) ACVR1NOD2MEN1KMT2APOLB
SCHEMBL20523673 0.79 RIPK2 (0.59) ACVR1NOD2MEN1KMT2APOLB
SCHEMBL20523604 0.77 MAPT (0.37) KMT2ABRAF
SCHEMBL31720954 0.76 FYN (0.56) ACVR1NOD2MEN1KMT2APOLB
SCHEMBL26851098 0.76 FYN (0.56) ACVR1NOD2MEN1KMT2APOLB
SCHEMBL20523469 0.75 FYN (0.50) ACVR1NOD2MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11135209-B2 Compositions and methods for inhibiting protein kinases UNIVERSITY OF HOUSTON SYSTEM (US) 2021-10-05 US disclosed
EP-3600307-B1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIV HOUSTON SYSTEM (US) 2021-05-05 EP disclosed
EP-3600307-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES University of Houston System (US) 2020-02-05 EP disclosed
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2020-01-30 US disclosed
WO-2018183633-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2018-10-04 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-11135209-B2 Compositions and methods for inhibiting protein kinases RIPK2, RIPK1, NOD2 ACVR1 8/4885NOD2 3/4885MEN1 2285/4885
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES RIPK2, RIPK1, NOD2 ACVR1 8/4885NOD2 3/4885MEN1 2285/4885

“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.