Sugi Predict

Sugi Predict / Compounds / SCHEMBL21178804

SCHEMBL21178804

SCHEMBL21178804

O=S(=O)(c1ccccc1)n1cc(C=NO)c2c(Cl)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SRC P12931 1/20 0.36
▸ HTR6 P50406 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ CYP2C19 P33261 1/20 0.34
▸ CA2 P00918 5/20 0.33
▸ CA9 Q16790 5/20 0.33
▸ CA12 O43570 4/20 0.33
▸ CA1 P00915 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ MET P08581 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ ALDH3A1 P30838 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL21178802 1.00 TSHR (0.39) TSHRHTTSRCHTR6HTR2A
SCHEMBL21178866 0.85 KDM4E (0.40) TSHRHTTSRCHTR6CYP2C19
SCHEMBL9967010 0.80 SRC (0.42) TSHRHTTSRCHTR6HTR2A
SCHEMBL21678619 0.78 AKR1C3 (0.42) HTTSRCHTR6CYP2C19CA2
SCHEMBL1585008 0.78 BRD4 (0.43) TSHRHTTSRCHTR6HTR2A
SCHEMBL2253631 0.78 SRC (0.40) TSHRHTTSRCHTR6HTR2A
SCHEMBL16963611 0.78 MEN1 (0.42) HTTSRCHTR6CYP2C19CA2
SCHEMBL3128989 0.76 HTR6 (0.42) SRCHTR6CYP2C19MEN1KMT2A
SCHEMBL7060611 0.72 SRC (0.49) HTTSRCHTR6CA2CA9
SCHEMBL21678552 0.72 HTR6 (0.42) SRCHTR6CYP2C19BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964988-B2 Fused heterocyclic compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2024-04-23 — — US disclosed
US-11603374-B2 Substituted pyrrolo[2,3-d]pyrimidines compounds as ret kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-03-14 — — US disclosed
EP-3849986-B1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2022-06-08 — — EP disclosed
US-20220112214-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-14 — — US disclosed
EP-3849986-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma, Inc. (US) 2021-07-21 — — EP disclosed
CN-112996794-A Fused heterocyclic compounds as RET kinase inhibitors 阿雷生物药品公司 2021-06-18 — — CN disclosed
EP-3740491-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma, Inc. (US) 2020-11-25 — — EP disclosed
US-20200339589-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-10-29 — — US disclosed
WO-2020055672-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-03-19 — — WO disclosed
WO-2019143977-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2019-07-25 — — 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-20200339589-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, FGFR3 TSHR 1407/4885HTT 1710/4885SRC 98/4885
US-20220112214-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, FRK TSHR 982/4885HTT 1188/4885SRC 22/4885
US-11964988-B2 Fused heterocyclic compounds as RET kinase inhibitors RET, ROR1, FRK TSHR 982/4885HTT 1188/4885SRC 22/4885
US-11603374-B2 Substituted pyrrolo[2,3-d]pyrimidines compounds as ret kinase inhibitors RET, ROR1, FGFR3 TSHR 1407/4885HTT 1710/4885SRC 98/4885

“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.