SCHEMBL29794873

SCHEMBL29794873

OCc1ccc(-c2ccc3nc4n(c3c2)[C@@H](c2ccccc2)CC4)cn1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNF P01375 12/20 0.59
PIK3CA P42336 1/20 0.40
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
RIPK1 Q13546 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
ADAM17 P78536 1/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
GRIN2B Q13224 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
SCHEMBL16814724 1.00 TNF (0.59) TNFPIK3CAPI4KAPI4KBGSK3B
SCHEMBL16814777 0.91 TNF (0.48) TNFRIPK1ADAM17GRIN2B
SCHEMBL16796836 0.91 TNF (0.48) TNFRIPK1ADAM17GRIN2B
SCHEMBL16814743 0.85 TNF (0.45) TNFRIPK1
SCHEMBL16796989 0.85 TNF (0.45) TNFRIPK1
SCHEMBL18151456 0.84 TNF (0.41) TNFPIK3CAPI4KAPI4KBGSK3B
SCHEMBL18151732 0.84 TNF (0.41) TNF
SCHEMBL29987453 0.84 TNF (0.41) TNFPIK3CAPI4KAPI4KBGSK3B
SCHEMBL18151144 0.83 NPC1 (0.42) TNFPIK3CARIPK1
SCHEMBL30673123 0.83 NPC1 (0.42) TNFPIK3CARIPK1

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-20250269043-A1 TARGETED BIFUNCTIONAL DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2025-08-28 US disclosed
EP-4493221-A2 TARGETED BIFUNCTIONAL DEGRADERS Yale University (US) 2025-01-22 EP disclosed
CN-119212727-A Targeted bifunctional degradants 耶鲁大学 2024-12-27 CN disclosed
WO-2023178199-A2 TARGETED BIFUNCTIONAL DEGRADERS YALE UNIVERSITY (US) 2023-09-21 WO disclosed
US-20230087994-A1 TARGETED BIFUNCTIONAL DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-03-23 US disclosed
CN-115315272-A Targeting difunctional degradation agent 耶鲁大学 2022-11-08 CN disclosed
EP-4041262-A1 TARGETED BIFUNCTIONAL DEGRADERS Yale University (US) 2022-08-17 EP 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-20250269043-A1 TARGETED BIFUNCTIONAL DEGRADERS SMURF2, SMURF1, MDM2 TNF 5/4885PIK3CA 3768/4885PI4KA 4316/4885
US-20230087994-A1 TARGETED BIFUNCTIONAL DEGRADERS SMURF2, SMURF1, SSB TNF 5/4885PIK3CA 3795/4885PI4KA 4371/4885

“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.