SCHEMBL21685397

SCHEMBL21685397

Nc1c(NC(=O)COCc2ccccc2)cc(F)cc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 2/20 0.42
PPIA P62937 1/20 0.42
CSNK1D P48730 2/20 0.41
PTGER1 P34995 1/20 0.41
NAMPT P43490 1/20 0.41
KDM1A O60341 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.40
LRRK2 Q5S007 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL21685458 0.75 ADORA3 (0.45) ADORA3ADORA2AADORA1PTPRCPTPN1
SCHEMBL878311 0.74 NPC1 (0.64) ADORA3ADORA2AADORA1PTPRCPTPN1
SCHEMBL11817945 0.73 BRD4 (0.52) PTPRCPTPN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21685531 0.72 KDM1A (0.52) RAB9ASMN1; SMN2PTGER1KDM1AMAPT
SCHEMBL2896596 0.72 KDM1A (0.59) RAB9ASMN1; SMN2PTGER1KDM1AMAPT
SCHEMBL415057 0.72 NAMPT (0.62) PTPRCPTPN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11810324 0.71 RAB9A (0.46) ADORA3ADORA2AADORA1PTPRCPTPN1
SCHEMBL418094 0.71 MEN1 (0.60) PTPRCPTPN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL878516 0.70 BRD4 (0.55) ADORA3ADORA2AADORA1PTPRCPTPN1
SCHEMBL8482565 0.70 KDM4E (0.73) ADORA3ADORA2AADORA1PTPRCPTPN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP disclosed
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC., 2025-01-09 US disclosed
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2024-11-26 US disclosed
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
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-11548892-B1 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2023-01-10 US disclosed
EP-3833348-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC (US) 2021-06-16 EP disclosed
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. 2021-06-03 US disclosed
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. 2021-06-03 US disclosed
CN-112789040-A Transglutaminase 2(TG2) inhibitors 思达利医药公司 2021-05-11 CN disclosed
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 WO 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 (4 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 ADORA3 4811/4885ADORA2A 4423/4885ADORA1 4786/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ADORA3 4811/4885ADORA2A 4423/4885ADORA1 4786/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ADORA3 4811/4885ADORA2A 4423/4885ADORA1 4786/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 ADORA3 4811/4885ADORA2A 4423/4885ADORA1 4786/4885

“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.