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SCHEMBL20926951

SCHEMBL20926951

CCOC(C#Cc1cnc(Cl)nc1NC1(CNC(=O)OC(C)(C)C)CCOCC1)OCC

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ NPFFR1 Q9GZQ6 1/20 0.32
▸ NPFFR2 Q9Y5X5 1/20 0.32
▸ PIK3R1 P27986 2/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ SYK P43405 1/20 0.30

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
SCHEMBL2724824 0.93 STK17B (0.41) STK17BSTK17ANPFFR1NPFFR2SYK
SCHEMBL29437376 0.93 STK17B (0.41) STK17BSTK17ANPFFR1NPFFR2SYK
SCHEMBL25955381 0.92 STK17B (0.41) STK17BSTK17ANPFFR1NPFFR2SYK
SCHEMBL2723184 0.92 STK17B (0.41) STK17BSTK17ANPFFR1NPFFR2SYK
SCHEMBL20913364 0.89 MAPK1 (0.31) SYK
SCHEMBL20980340 0.88 STK17B (0.38) STK17BSTK17ANPFFR1NPFFR2
SCHEMBL20980348 0.88 STK17B (0.38) STK17BSTK17ANPFFR1NPFFR2
SCHEMBL21014235 0.83 P2RX7 (0.33) STK17BSTK17ANPFFR1NPFFR2
SCHEMBL20835356 0.81 — —
SCHEMBL20926950 0.81 STK17B (0.46) STK17BSTK17ANPFFR1NPFFR2PIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2021-02-18 — — US disclosed
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents GI Therapeutics, Inc. (US) 2020-11-10 — — US disclosed
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2020-07-30 — — US disclosed
US-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2019-05-09 — — US disclosed
US-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2019-04-25 — — US 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 (5 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-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD STK17B 819/4885STK17A 1110/4885NPFFR1 3728/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD STK17B 819/4885STK17A 1110/4885NPFFR1 3728/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA STK17B 897/4885STK17A 1014/4885NPFFR1 3819/4885
US-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD STK17B 650/4885STK17A 929/4885NPFFR1 4009/4885
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD STK17B 650/4885STK17A 929/4885NPFFR1 4009/4885

“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.