SCHEMBL21703276

SCHEMBL21703276

CC(C)(C)CCc1ncnc2c1nc(Cn1cccc(N)c1=O)n2C1CCCCO1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 4/20 0.59
▸ RET P07949 2/20 0.33
▸ CYP2C19 P33261 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ADCY1 Q08828 1/20 0.31
▸ PI4K2B Q8TCG2 1/20 0.31
▸ PI4K2A Q9BTU6 1/20 0.31

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
SCHEMBL21703369 0.92 MAP4K1 (0.59) MAP4K1RETNPC1RAB9ASMN1; SMN2
SCHEMBL21685514 0.92 MAP4K1 (0.51) MAP4K1RETCYP2C19NPC1RAB9A
SCHEMBL21703277 0.89 MAP4K1 (0.49) MAP4K1RETCYP2C19NPC1RAB9A
SCHEMBL21685027 0.89 MAP4K1 (0.61) MAP4K1RETCYP2C19NPC1RAB9A
SCHEMBL21703370 0.87 MAP4K1 (0.48) MAP4K1CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL21684983 0.85 MAP4K1 (0.46) MAP4K1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL21685334 0.80 MAP4K1 (0.49) MAP4K1CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL25949501 0.78 MAP4K1 (0.64) MAP4K1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL21685146 0.78 MAP4K1 (0.58) MAP4K1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL21703018 0.77 MAP4K1 (0.51) MAP4K1CYP2C19NPC1RAB9ASMN1; SMN2

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 2520/4885RET 2972/4885CYP2C19 3273/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885RET 2972/4885CYP2C19 3273/4885

“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.

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