Sugi Predict

Sugi Predict / Compounds / SCHEMBL2714643

SCHEMBL2714643

SCHEMBL2714643

CSc1ccc(F)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.36
▸ ADRA2B P18089 2/20 0.36
▸ ADRA2C P18825 2/20 0.36
▸ ADRA1D P25100 2/20 0.36
▸ ADRA1A P35348 2/20 0.36
▸ ADRA1B P35368 2/20 0.36
▸ DDR1 Q08345 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ AXL P30530 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ AR P10275 1/20 0.31
▸ AMY1A P0DUB6 1/20 0.30
▸ CA3 P07451 1/20 0.30
▸ CA6 P23280 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
SCHEMBL30032237 1.00 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1359179 0.82 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL27636825 0.77 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL29722916 0.76 ALDH1A1 (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL2645981 0.76 ALOX15 (0.42) KMT2AMEN1MAPTALDH1A1CYP2A6
SCHEMBL319042 0.76 ALDH1A1 (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8489218 0.74 ALDH1A1 (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL2125230 0.74 MAPT (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL3544040 0.74 MAPK14 (0.39) ALDH1A1
SCHEMBL3545874 0.74 PDE7A (0.42) KMT2AMEN1MAPTALDH1A1

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12565497-B2 Sulfone derivatives HOFFMANN-LA ROCHE INC. (US) 2026-03-03 — — US disclosed
CN-112805062-B Imidazo [1,2-b ] pyridazines as Trk inhibitors 博善人工智能生物科技有限公司 2024-06-04 — — CN disclosed
EP-3840832-B1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LTD (GB) 2023-10-11 — — EP disclosed
US-20230219953-A1 SULFONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-13 — — US disclosed
US-20230149398-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BENEVOLENTAI BIO LIMITED (GB) 2023-05-18 — — US disclosed
EP-4168392-A1 SULFONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-26 — — EP disclosed
US-20230112039-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR USES BENEVOLENTAI BIO LIMITED (GB) 2023-04-13 — — US disclosed
CN-115916756-A Sulfone derivative 豪夫迈·罗氏有限公司 2023-04-04 — — CN disclosed
EP-4093376-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR USES BenevolentAI Bio Limited (GB) 2022-11-30 — — EP disclosed
EP-4093404-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BenevolentAI Bio Limited (GB) 2022-11-30 — — EP disclosed
US-20090137586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-05-28 — — US disclosed
US-20090137586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-05-28 — — US disclosed
US-7488745-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-02-10 — — US disclosed
US-7488745-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-02-10 — — US disclosed
WO-2008085316-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-07-17 — — WO disclosed
WO-2008085316-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-07-17 — — WO disclosed
US-20070219218-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-09-20 — — US disclosed
US-20070219218-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-09-20 — — US disclosed
WO-2007084415-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2007-07-26 — — WO disclosed
CN-1827627-A Novel acyclic nucleoside phosphonic acid and its ester derivatives and pharmaceutical use thereof BEIJING MEIBEITA PHARMACEUTICA (CN) 2006-09-06 — — CN 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 (6 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-20070219218-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ADRA2A 4038/4885ADRA2B 3811/4885ADRA2C 4157/4885
US-20230219953-A1 SULFONE DERIVATIVES SULT1E1, SULT1A1, SULT2A1 ADRA2A 1088/4885ADRA2B 429/4885ADRA2C 1163/4885
US-20090137586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 ADRA2A 4038/4885ADRA2B 3811/4885ADRA2C 4157/4885
US-20230112039-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR USES TNK2, DMPK, TPM3 ADRA2A 1007/4885ADRA2B 753/4885ADRA2C 527/4885
US-20230149398-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS TNK2, TNIK, TNK1 ADRA2A 690/4885ADRA2B 441/4885ADRA2C 410/4885
US-12565497-B2 Sulfone derivatives CXCR1, CCR1, SULT1E1 ADRA2A 1152/4885ADRA2B 1007/4885ADRA2C 359/4885

“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.