SCHEMBL3199564

SCHEMBL3199564

Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.N[n+]1cc(Br)nc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 7/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ F2 P00734 3/20 0.36
▸ PRSS1 P07477 3/20 0.36
▸ PRSS2 P07478 3/20 0.36
▸ PRSS3 P35030 3/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ EDNRB P24530 1/20 0.35
▸ EDNRA P25101 1/20 0.35
▸ HTR6 P50406 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HPGD P15428 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
SCHEMBL21630876 0.84 RAPGEF4 (0.33) RAPGEF4MAPK1F2PRSS1PRSS2
SCHEMBL20874147 0.84 RAPGEF4 (0.40) RAPGEF4MAPK1F2PRSS1PRSS2
SCHEMBL31201543 0.82 HDAC8 (0.38) RAPGEF4MAPK1F2PRSS1PRSS2
SCHEMBL31153489 0.81 RAPGEF4 (0.38) RAPGEF4MAPK1F2PRSS1PRSS2
SCHEMBL31038514 0.79 HPGD (0.35) RAPGEF4MAPK1F2PRSS1PRSS2
SCHEMBL16913904 0.79 RAPGEF4 (0.36) RAPGEF4MAPK1F2PRSS1PRSS2
SCHEMBL23852054 0.79 RAPGEF4 (0.33) RAPGEF4MAPK1F2PRSS1PRSS2
SCHEMBL23320398 0.78 RAPGEF4 (0.35) RAPGEF4MAPK1F2PRSS1PRSS2
SCHEMBL30760416 0.76 RAPGEF4 (0.37) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL1693952 0.76 LMNA (0.40) RAPGEF4F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851434-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as ret kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-12-26 — — US disclosed
EP-3571203-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 — — EP disclosed
CN-110267960-B Substituted pyrazolo [1,5-a ] pyrazine compounds as RET kinase inhibitors 阿雷生物药品公司 2022-04-26 — — CN disclosed
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 — — US disclosed
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-11-09 — — US disclosed
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC 2020-02-20 — — US disclosed
US-7674791-B2 Triazolopyrazines and methods of making and using the same BIOGEN IDEC MA INC. (US) 2010-03-09 — — US disclosed
US-20070010520-A1 Triazolopyrazines and methods of making and using the same BIOGEN IDEC MA INC. 2007-01-11 — — 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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 RAPGEF4 862/4885MAPK1 90/4885F2 2941/4885
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 RAPGEF4 862/4885MAPK1 90/4885F2 2941/4885
US-11851434-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as ret kinase inhibitors RET, BRAF, ROR1 RAPGEF4 862/4885MAPK1 90/4885F2 2941/4885
US-20070010520-A1 Triazolopyrazines and methods of making and using the same ADORA2A, ADORA3, ADORA1 RAPGEF4 474/4885MAPK1 2506/4885F2 4232/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 RAPGEF4 893/4885MAPK1 91/4885F2 2900/4885

“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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