SCHEMBL31688432

SCHEMBL31688432

COCCOc1ccc(Nc2ncc(F)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.52
▸ CDK4 P11802 1/20 0.52
▸ CCND1 P24385 1/20 0.52
▸ CCND2 P30279 1/20 0.52
▸ CCND3 P30281 1/20 0.52
▸ SYK P43405 5/20 0.50
▸ EGFR P00533 6/20 0.48
▸ ITK Q08881 3/20 0.48
▸ BTK Q06187 3/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ LYN P07948 1/20 0.48
▸ TEC P42680 1/20 0.48
▸ TXK P42681 1/20 0.48
▸ BMX P51813 1/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ CD69 Q07108 1/20 0.48
▸ KCNH3 Q9ULD8 2/20 0.47
▸ AURKA O14965 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46

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
SCHEMBL19544927 0.82 SYK (0.57) BRAFCDK4CCND1CCND2CCND3
SCHEMBL19624911 0.81 BRAF (0.51) BRAFCDK4CCND1CCND2CCND3
SCHEMBL29729055 0.81 SYK (0.56) BRAFCDK4CCND1CCND2CCND3
SCHEMBL22909438 0.81 SYK (0.56) BRAFCDK4CCND1CCND2CCND3
SCHEMBL19754300 0.80 MAPT (0.54) BRAFCDK4CCND1CCND2CCND3
SCHEMBL25068921 0.80 SYK (0.64) SYKEGFRITKBTKJAK2
SCHEMBL18198827 0.79 SYK (0.54) BRAFCDK4CCND1CCND2CCND3
SCHEMBL25068908 0.79 SYK (0.57) BRAFCDK4CCND1CCND2CCND3
SCHEMBL17561055 0.78 KCNH3 (0.47) BRAFCDK4CCND1CCND2CCND3
SCHEMBL18434115 0.78 KCNH3 (0.53) BRAFCDK4CCND1CCND2CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250295655-A1 BRUTON'S KINASE INHIBITORS FOR THE TREATMENT OF A SUDDEN ALLERGIC REACTION Alk-Abelló A/S (DK) 2025-09-25 — — 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 (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-20250295655-A1 BRUTON'S KINASE INHIBITORS FOR THE TREATMENT OF A SUDDEN ALLERGIC REACTION BTK, SYK, ABL1 BRAF 130/4885CDK4 459/4885CCND1 2854/4885

“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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