SCHEMBL22493827

SCHEMBL22493827

COC(=O)CCSc1ccnc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 2/20 0.47
▸ PRNP P04156 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ GSTP1 P09211 1/20 0.40
▸ GSTM2 P28161 1/20 0.40
▸ CIT O14578 4/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ PRKCI P41743 3/20 0.39
▸ AXL P30530 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ NEK1 Q96PY6 2/20 0.38
▸ JAK3 P52333 2/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ TYK2 P29597 2/20 0.37
▸ CXCR1 P25024 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
SCHEMBL31280881 0.89 NUDT1 (0.56) NUDT1PRNPPOLBKMT2ARXFP1
SCHEMBL23663615 0.89 NUDT1 (0.56) NUDT1PRNPPOLBKMT2ARXFP1
SCHEMBL28615837 0.85 NOTUM (0.48) NUDT1PRNPRXFP1CITNOTUM
SCHEMBL22440531 0.81 KMT2A (0.42) NUDT1PRNPPOLBKMT2ARXFP1
SCHEMBL21855872 0.79 GSTP1 (0.46) PRNPPOLBKMT2ARXFP1GSTP1
SCHEMBL29506066 0.79 GSTP1 (0.46) PRNPPOLBKMT2ARXFP1GSTP1
SCHEMBL22493648 0.79 JAK2 (0.40) NUDT1PRNPPOLBKMT2ARXFP1
SCHEMBL21855845 0.79 GLA (0.39) PRNPPOLBKMT2ARXFP1GSTP1
SCHEMBL21855875 0.79 CXCR1 (0.44) NUDT1GSTP1GSTM2CITNOTUM
SCHEMBL29506077 0.79 CXCR1 (0.44) NUDT1GSTP1GSTM2CITNOTUM

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-20240124453-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2024-04-18 — — US disclosed
US-11884664-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2024-01-30 — — US disclosed
US-11634417-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2023-04-25 — — US disclosed
US-20220251083-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-08-11 — — US disclosed
US-20200317665-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-10-08 — — 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-11884664-B2 Protein tyrosine phosphatase inhibitors PPM1A, PPM1F, PPP5C NUDT1 1030/4885PRNP 1522/4885POLB 2681/4885
US-20200317665-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C NUDT1 1030/4885PRNP 1522/4885POLB 2681/4885
US-20240124453-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C NUDT1 1030/4885PRNP 1522/4885POLB 2681/4885
US-11634417-B2 Protein tyrosine phosphatase inhibitors PPM1A, PPM1F, PPP5C NUDT1 1030/4885PRNP 1522/4885POLB 2681/4885
US-20220251083-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C NUDT1 1030/4885PRNP 1522/4885POLB 2681/4885

“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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