SCHEMBL22604454

SCHEMBL22604454

CN(C)CC(=O)Nc1cccc(-c2cn(-c3ccccc3)c3c(=O)[nH]cnc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.42
PARP1 P09874 5/20 0.41
SRC P12931 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.40
BRAF P15056 1/20 0.40
TNKS O95271 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP12 Q9H0J9 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP4 Q9UKK3 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
TRPM2 O94759 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 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
SCHEMBL20911861 0.87 SRC (0.45) SRCMAPTLMNAKMT2AHTT
SCHEMBL20912266 0.86 SRC (0.59) MAP4K4PARP1SRCMAPTLMNA
SCHEMBL20912207 0.80 SRC (0.46) PARP1SRCMAPTLMNAKMT2A
SCHEMBL22604451 0.80 CAMK2D (0.48) MAP4K4PARP1
SCHEMBL30662364 0.79 SRC (0.50) SRCMAPTLMNAKMT2AHTT
SCHEMBL20898225 0.79 SRC (0.50) SRCMAPTLMNAKMT2AHTT
SCHEMBL22604367 0.78 SRC (0.57) SRCMAPTLMNAKMT2AHDAC3
SCHEMBL20911860 0.78 SRC (0.49) PARP1SRCMAPTLMNAKMT2A
SCHEMBL20898188 0.77 SRC (0.43) SRCMAPTLMNAKMT2AHTT
SCHEMBL20912011 0.77 SRC (0.51) SRCMAPTLMNAKMT2AHTT

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-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
US-20200339583-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-10-29 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-20200339583-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K2, MAP4K5 MAP4K4 1/4885PARP1 832/4885SRC 594/4885
US-11795169-B2 MAP4K4 inhibitors MAP4K4, MAP4K2, MAP4K5 MAP4K4 1/4885PARP1 832/4885SRC 594/4885

“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.