SCHEMBL29606402

SCHEMBL29606402

Cc1c(NC(=O)c2ccc(C(C)(C)O)cc2F)cc(F)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.45
LIPE Q05469 7/20 0.41
NTRK1 P04629 3/20 0.39
NTRK2 Q16620 1/20 0.39
HDAC1 Q13547 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL14646795 1.00 BTK (0.45) BTKLIPENTRK1NTRK2HDAC1
SCHEMBL27003887 0.86 LIPE (0.39) BTKLIPENTRK1NTRK2HDAC1
SCHEMBL27003891 0.84 LIPE (0.39) LIPENTRK1NTRK2HDAC1NPC1
SCHEMBL14646759 0.82 LIPE (0.43) BTKLIPENPC1TP53RAB9A
SCHEMBL31473998 0.82 LIPE (0.36) BTKLIPENTRK1NTRK2HDAC1
SCHEMBL27437425 0.82 LIPE (0.37) BTKLIPENTRK1NTRK2
SCHEMBL29814325 0.82 LIPE (0.37) BTKLIPENTRK1NTRK2
SCHEMBL16754856 0.81 BTK (0.45) BTK
SCHEMBL29520132 0.81 BTK (0.45) BTK
SCHEMBL18130791 0.81 LIPE (0.47) BTKLIPENTRK1NTRK2HDAC1

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-12441733-B2 Substituted 2,4-dioxotetrahydropyrimidines as intermediates in the synthesis of bruton's tyrosine kinase inhibitors NOVARTIS AG (CH) 2025-10-14 US disclosed
EP-4304655-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE Novartis AG (CH) 2024-01-17 EP disclosed
EP-4146655-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BeiGene, Ltd. (KY) 2023-03-15 EP disclosed
WO-2022189859-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE NOVARTIS AG (CH) 2022-09-15 WO disclosed
EP-4031247-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE Novartis AG (CH) 2022-07-27 EP disclosed
CN-114521196-A Bifunctional group degradation agent and use method thereof 诺华股份有限公司 2022-05-20 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 (1 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-12441733-B2 Substituted 2,4-dioxotetrahydropyrimidines as intermediates in the synthesis of bruton's tyrosine kinase inhibitors BTK, ABL1, LYN BTK 1/4885LIPE 4698/4885NTRK1 2469/4885

“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.