Sugi Predict

Sugi Predict / Compounds / SCHEMBL4355782

SCHEMBL4355782

SCHEMBL4355782

COc1c(F)cc(F)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.46
▸ CA4 P22748 2/20 0.46
▸ HTR2A P28223 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.37
▸ TPMT P51580 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTR7 P34969 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TUBB1 Q9H4B7 2/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33

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
SCHEMBL30407976 1.00 CA2 (0.46) CA2CA4HTR2AHSD17B10TPMT
SCHEMBL1163205 0.88 CA2 (0.52) CA2CA4HTR2AHSD17B10TPMT
SCHEMBL443415 0.83 PDGFRB (0.39) CA2CA4MAPTHTR7TUBB1
SCHEMBL17875684 0.82 HSD17B10 (0.50) CA2CA4HSD17B10TPMTTSHR
SCHEMBL31456115 0.82 CA2 (0.46) CA2CA4HTR2AHSD17B10TPMT
SCHEMBL14217767 0.80 CA2 (0.45) CA2CA4HTR2AHSD17B10TPMT
SCHEMBL31063287 0.80 CA2 (0.45) CA2CA4HSD17B10TPMTTSHR
SCHEMBL12269187 0.80 CA2 (0.45) CA2CA4HTR2AHSD17B10TPMT
SCHEMBL10209878 0.80 TSHR (0.50) CA2CA4HTR2ATSHRAPOBEC3A
SCHEMBL23980719 0.78 CA2 (0.43) CA2CA4HTR2AHSD17B10TPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025224249-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND METHODS OF USE THEREOF MONTE ROSA THERAPEUTICS AG (CH) 2025-10-30 — — WO disclosed
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 — — EP disclosed
US-20240308976-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND USES THEREOF MONTE ROSA THERAPEUTICS AG (CH) 2024-09-19 — — US disclosed
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 — — CN disclosed
WO-2023069708-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND USES THEREOF MONTE ROSA THERAPEUTICS, INC. (US) 2023-04-27 — — WO disclosed
WO-2023069708-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND USES THEREOF MONTE ROSA THERAPEUTICS, INC. (US) 2023-04-27 — — WO disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 — — US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 — — US disclosed
EP-3873605-A1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 — — EP disclosed
CN-112969504-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2021-06-15 — — CN disclosed
WO-2014022349-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 — — WO disclosed
US-7615634-B2 4-aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-10 — — US disclosed
US-7615634-B2 4-aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-10 — — US disclosed
US-7615634-B2 4-aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-10 — — US disclosed
US-7157455-B2 4-Aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-02 — — US disclosed
US-7157455-B2 4-Aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-02 — — US disclosed
US-20060229330-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID J 2006-10-12 — — US disclosed
EP-1628619-A2 4-AMINOPYRIMIDINE-5-ONE F.HOFFMANN-LA ROCHE AG (CH) 2006-03-01 — — EP disclosed
US-20040162303-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID JOSEPH (US) 2004-08-19 — — US disclosed
WO-2004069139-A2 4-AMINOPYRIMIDIN-5-YL-METHANONE DERIVATIVES FOR INHIBITION OF CDK4 ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2004-08-19 — — 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 (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-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 CA2 2752/4885CA4 1666/4885HTR2A 4712/4885
US-20040162303-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK6 CA2 4156/4885CA4 2116/4885HTR2A 3772/4885
US-20240308976-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND USES THEREOF CRBN, GSPT1, GSPT2 CA2 3779/4885CA4 2766/4885HTR2A 2644/4885
US-20060229330-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK2 CA2 4242/4885CA4 2771/4885HTR2A 3482/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 CA2 1972/4885CA4 859/4885HTR2A 4619/4885

“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.