SCHEMBL20523650

SCHEMBL20523650

O=C(O)N1CCN(c2ccc(-c3cnc(Cl)c(-c4ccccc4)c3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
SLC6A7 Q99884 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TGFBR1 P36897 1/20 0.47
ACVR1 Q04771 2/20 0.46
FYN P06241 2/20 0.44
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.42
MAP4K4 O95819 2/20 0.41
DGAT1 O75907 1/20 0.41
SCD O00767 1/20 0.41
SCD5 Q86SK9 1/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL5239356 0.80 MEN1 (0.68) KMT2AMEN1SLC6A7POLBMAPT
SCHEMBL20523500 0.77 ACVR1 (0.62) MAPTTGFBR1ACVR1FYN
SCHEMBL21630382 0.76 NOD2 (0.63) MAPTTGFBR1ACVR1
SCHEMBL21630352 0.75 ACVR1 (0.64) MAPTTGFBR1ACVR1FYN
SCHEMBL21630387 0.75 ACVR1 (0.51) TGFBR1ACVR1FYN
SCHEMBL5233832 0.74 LMNA (0.62) KMT2AMEN1SLC6A7POLBMAPT
SCHEMBL27818822 0.74 CHRNB4 (0.52) KMT2AMEN1SLC6A7POLBMAPT
SCHEMBL20523609 0.74 NOD2 (0.65) TGFBR1ACVR1FYN
SCHEMBL21630433 0.74 NOD2 (0.65) TGFBR1ACVR1
SCHEMBL4438731 0.74 ALDH1A1 (0.44) SLC6A7MAPTALDH1A1L3MBTL1LMNA

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 KMT2A 3666/4885MEN1 2285/4885SLC6A7 4561/4885
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES RIPK2, RIPK1, NOD2 KMT2A 3666/4885MEN1 2285/4885SLC6A7 4561/4885

“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.