SCHEMBL21703476

SCHEMBL21703476

CC(C)Cc1cccc2[nH]c(Cn3c(Cl)ccc(N)c3=O)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.38
CHEK1 O14757 1/20 0.35
PDE2A O00408 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR6 P50406 1/20 0.32
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
MAPT P10636 2/20 0.32
LCK P06239 1/20 0.31
PARP1 P09874 1/20 0.31
CCR2 P41597 1/20 0.31
CCR5 P51681 1/20 0.31
MEN1 O00255 1/20 0.30
RGS12 O14924 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL21685884 0.88 MAP4K1 (0.38) MAP4K1CHEK1PDE2APDE1APDE1B
SCHEMBL21703026 0.81 MAP4K1 (0.50) MAP4K1CHEK1PDE2APDE1APDE1B
SCHEMBL21684918 0.75 MAP4K1 (0.38) MAP4K1
SCHEMBL21703430 0.75 P2RX3 (0.33) MAP4K1
SCHEMBL21703321 0.72 NOS1 (0.32) KDM4EALDH1A1HSD17B10MAPTPARP1
SCHEMBL21685462 0.72 MAP4K1 (0.37) MAP4K1PDE2APDE1APDE1BPDE1C
SCHEMBL23453122 0.71 NOS1 (0.33) MAP4K1
SCHEMBL25938330 0.70 MAP4K1 (0.56) MAP4K1KDM4EALDH1A1
SCHEMBL21703429 0.70 TLR7 (0.31)
SCHEMBL21703001 0.69 MAP4K1 (0.42) MAP4K1CHEK1PDE2APDE1APDE1B

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-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2023-01-10 US disclosed
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. 2021-06-03 US disclosed
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 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-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 MAP4K1 2520/4885CHEK1 2519/4885PDE2A 1630/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885CHEK1 2519/4885PDE2A 1630/4885

“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.