SCHEMBL22604453

SCHEMBL22604453

O=C(NCCO)c1cccc(-c2cn(-c3ccccc3)c3c(=O)[nH]cnc23)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.46
SRC P12931 1/20 0.45
GPR52 Q9Y2T5 2/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 1/20 0.42
MAP4K4 O95819 1/20 0.41
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
PRKD1 Q15139 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL22604451 0.89 CAMK2D (0.48) FYNMAP4K4PRKD1
SCHEMBL22604315 0.86 SRC (0.65) FYNSRCGPR52MAPTLMNA
SCHEMBL20898225 0.85 SRC (0.50) SRCMAPTLMNAKMT2AGAA
SCHEMBL30662364 0.85 SRC (0.50) SRCMAPTLMNAKMT2AGAA
SCHEMBL20911860 0.84 SRC (0.49) FYNSRCMAPTLMNAKMT2A
SCHEMBL8819526 0.81 SRC (0.64) SRCMAPTLMNAKMT2AGAA
SCHEMBL20912011 0.81 SRC (0.51) FYNSRCMAPTLMNAKMT2A
SCHEMBL20911641 0.81 SRC (0.48) SRCMAPTLMNAKMT2AGAA
SCHEMBL20911969 0.80 MAPT (0.46) SRCMAPTLMNAKMT2AHTT
SCHEMBL20898188 0.79 SRC (0.43) SRCMAPTLMNAKMT2AGAA

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-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
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 FYN 306/4885SRC 594/4885GPR52 2649/4885
US-11795169-B2 MAP4K4 inhibitors MAP4K4, MAP4K2, MAP4K5 FYN 306/4885SRC 594/4885GPR52 2649/4885

“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.