Sugi Predict

Sugi Predict / Compounds / SCHEMBL22122575

SCHEMBL22122575

SCHEMBL22122575

CC(C)(CO)Cn1ncc2ccc(Br)cc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 8/20 0.53
▸ IRAK4 Q9NWZ3 2/20 0.42
▸ FGFR1 P11362 2/20 0.39
▸ FGFR4 P22455 2/20 0.39
▸ HTR2A P28223 5/20 0.39
▸ HTR2C P28335 5/20 0.39
▸ HTR2B P41595 4/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ ADRA2B P18089 2/20 0.39
▸ ADRA2C P18825 2/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR4 Q13639 1/20 0.39
▸ CCR9 P51686 1/20 0.33
▸ EGFR P00533 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
SCHEMBL22128427 0.79 KMO (0.44) KMOIRAK4FGFR1FGFR4HTR2A
SCHEMBL23994190 0.79 KMO (0.55) KMOIRAK4FGFR1FGFR4HTR2A
SCHEMBL7253033 0.77 KMO (0.68) KMOIRAK4FGFR1FGFR4HTR2A
SCHEMBL30381343 0.77 KMO (0.59) KMOIRAK4FGFR1FGFR4HTR2A
SCHEMBL6181444 0.77 KMO (0.59) KMOIRAK4FGFR1FGFR4HTR2A
SCHEMBL30817517 0.75 KMO (0.60) KMOIRAK4FGFR1FGFR4HTR2A
SCHEMBL22155665 0.74 MGAM (0.38) KMO
SCHEMBL21175117 0.74 KMO (0.43) KMOIRAK4HTR2AHTR2CEGFR
SCHEMBL23055588 0.73 KMO (0.55) KMOIRAK4FGFR1FGFR4HTR2A
Dimethylamine SCHEMBL7256663 0.73 KMO (0.55) KMOIRAK4FGFR1FGFR4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-05-02 — — US disclosed
EP-3897644-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2021-10-27 — — EP disclosed
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 — — CN disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 — — WO disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 — — WO disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 — — US disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 — — 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 (2 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-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS KMO 4690/4885IRAK4 2653/4885FGFR1 2683/4885
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS KMO 4690/4885IRAK4 2653/4885FGFR1 2683/4885

“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.