SCHEMBL21703150

SCHEMBL21703150

Nc1cccn(Cc2nc3c(C4CCCCC4)ncnc3[nH]2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.46
FFAR2 O15552 11/20 0.38
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL21702896 0.78 MAP4K1 (0.47) MAP4K1FFAR2
SCHEMBL21702894 0.75 MAP4K1 (0.36) MAP4K1
SCHEMBL25949320 0.75 MAP4K1 (0.34) MAP4K1KDM4EALDH1A1
SCHEMBL25938790 0.75 MAP4K1 (0.65) MAP4K1
SCHEMBL21685592 0.74 MAP4K1 (0.46) MAP4K1SMN1; SMN2
SCHEMBL21702897 0.74 MEN1 (0.38) MAP4K1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL21685522 0.74 MAP4K1 (0.45) MAP4K1FFAR2CYP3A4
SCHEMBL21702899 0.74 MAP4K1 (0.46) MAP4K1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25938264 0.71 MAP4K1 (0.36) MAP4K1KDM4EALDH1A1
SCHEMBL28588470 0.71 MAP4K1 (0.89) MAP4K1

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 2520/4885FFAR2 2804/4885KDM4E 2034/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885FFAR2 2804/4885KDM4E 2034/4885

“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.