Sugi Predict

Sugi Predict / Compounds / SCHEMBL219612

SCHEMBL219612

SCHEMBL219612

Ic1ncnc2c1ncn2C1CCCCO1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.68
▸ PI4KA P42356 4/20 0.65
▸ PI4K2B Q8TCG2 4/20 0.65
▸ PI4K2A Q9BTU6 4/20 0.65
▸ PI4KB Q9UBF8 4/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ TP53 P04637 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ NFKB1 P19838 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ APEX1 P27695 1/20 0.65
▸ BLM P54132 1/20 0.65
▸ ADCY1 Q08828 1/20 0.65
▸ NPC1 O15118 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ CYP1A2 P05177 2/20 0.55

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
SCHEMBL5740769 0.96 PI4KA (0.71) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL4572213 0.84 CYP2C19 (0.74) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL31569297 0.84 CYP2C19 (0.74) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL1324553 0.83 CYP2C19 (0.72) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL675830 0.83 PI4KA (0.92) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL115599 0.83 CYP2C19 (0.68) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL30988430 0.83 PI4KA (0.92) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL2876046 0.83 CYP2C19 (0.68) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL29683060 0.83 CYP2C19 (0.68) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL3674646 0.83 CYP2C19 (0.50) CYP2C19PI4KAPI4K2BPI4K2API4KB

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 28 patents — showing the first 20. 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
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-09-26 — — 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
WO-2022178256-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-08-25 — — WO disclosed
EP-3833348-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC (US) 2021-06-16 — — EP disclosed
US-8557830-B2 RAF kinase modulators and methods of use AMGEN INC. (US) 2013-10-15 — — US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 — — US disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 — — US disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 — — US disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 — — US disclosed
EP-2170887-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS Amgen Inc. (US) 2010-04-07 — — EP disclosed
WO-2008153947-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS AMGEN INC. (US) 2008-12-18 — — WO disclosed
US-20060128956-A1 (Purin-6-yl) amino acid and production method thereof USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CESKE REPUBLIKY (CZ) 2006-06-15 — — US disclosed
EP-1615926-A1 (PURIN-6-YL) AMINO ACID AND PRODUCTION METHOD THEREOF Ustav Organicke Chemie A Biochemie Akademie Ved Ceske Republiky (CZ) 2006-01-18 — — EP disclosed
WO-2004094426-A1 (PURIN-6-YL) AMINO ACID AND PRODUCTION METHOD THEREOF USTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VED CESKÉ REPUBLIKY (CZ) 2004-11-04 — — 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 (7 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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA CYP2C19 3424/4885PI4KA 35/4885PI4K2B 83/4885
US-20060128956-A1 (Purin-6-yl) amino acid and production method thereof PRPF3, PURB, PRPF31 CYP2C19 4041/4885PI4KA 3154/4885PI4K2B 2539/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 CYP2C19 3273/4885PI4KA 3305/4885PI4K2B 1972/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 CYP2C19 3273/4885PI4KA 3305/4885PI4K2B 1972/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 CYP2C19 3273/4885PI4KA 3305/4885PI4K2B 1972/4885
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES TYMP, DPYD, PNP CYP2C19 195/4885PI4KA 1412/4885PI4K2B 1078/4885
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF CYP2C19 3301/4885PI4KA 118/4885PI4K2B 182/4885

“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.