SCHEMBL21684666

SCHEMBL21684666

Cc1nc2c(Oc3ccccc3)ncnc2n1C1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.40
▸ LCK P06239 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ TEK Q02763 3/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ PI4KA P42356 1/20 0.37

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
SCHEMBL25948667 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2CYP2C19PDE10A
SCHEMBL14964663 0.77 CYP2C19 (0.45) NPC1RAB9ASMN1; SMN2CYP2C19PDE10A
SCHEMBL29877869 0.77 CYP2C19 (0.45) NPC1RAB9ASMN1; SMN2CYP2C19PDE10A
SCHEMBL16139090 0.74 SIGMAR1 (0.40) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL12068396 0.73 CYP2C19 (0.43) NPC1RAB9ASMN1; SMN2CYP2C19PDE10A
SCHEMBL14964593 0.72 CYP2C19 (0.38) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL29877854 0.72 CYP2C19 (0.38) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL21685270 0.71 NPC1 (0.46) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL4412702 0.71 CYP2C19 (0.56) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL2200991 0.71 PI4KA (0.59) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2

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 NPC1 3220/4885RAB9A 2492/4885SMN1; SMN2 2176/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 NPC1 3220/4885RAB9A 2492/4885SMN1; SMN2 2176/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 NPC1 3220/4885RAB9A 2492/4885SMN1; SMN2 2176/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 NPC1 3220/4885RAB9A 2492/4885SMN1; SMN2 2176/4885

“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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