SCHEMBL20314844

SCHEMBL20314844

Cc1ccc2cc[nH]c2c1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ AHR P35869 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ TAF1 P21675 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ CECR2 Q9BXF3 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ BCHE P06276 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ AR P10275 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ PDPK1 O15530 1/20 0.31
▸ REN P00797 1/20 0.31
▸ PIM3 Q86V86 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
SCHEMBL20858081 0.86 TNF (0.36) TNFRIPK1AHRBRD4TAF1
SCHEMBL16746099 0.80 TNF (0.37) TNFRIPK1AHRBRD4TAF1
SCHEMBL20314889 0.78 TNF (0.53) TNFRIPK1AHRBRD4TAF1
SCHEMBL23588632 0.74 CHEK1 (0.42) —
SCHEMBL20157532 0.74 IMPDH2 (0.36) TNFRIPK1AHRBRD4TAF1
SCHEMBL6097464 0.74 TNF (0.42) TNFRIPK1AHRBRD4TAF1
SCHEMBL29713816 0.74 TNF (0.42) TNFRIPK1AHRBRD4TAF1
SCHEMBL5580913 0.72 MAPT (0.52) TNFRIPK1AHRBRD4TAF1
SCHEMBL16091101 0.72 TNF (0.50) TNFRIPK1AHRBRD4TAF1
SCHEMBL22792384 0.72 TNF (0.37) TNFRIPK1AHRBRD4TAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 — — US disclosed
US-20220402883-A1 COMPOUNDS AND METHODS FOR MODULATING RNA FUNCTION ARRAKIS THERAPEUTICS, INC. 2022-12-22 — — US disclosed
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 — — US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 — — 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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR TNF 4357/4885RIPK1 3827/4885AHR 1182/4885
US-20220402883-A1 COMPOUNDS AND METHODS FOR MODULATING RNA FUNCTION NSUN3, NSUN2, METTL16 TNF 4413/4885RIPK1 2868/4885AHR 3041/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TNF 4831/4885RIPK1 957/4885AHR 3106/4885
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS TNF 4864/4885RIPK1 1797/4885AHR 1514/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS TNF 4747/4885RIPK1 711/4885AHR 732/4885

“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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