SCHEMBL19544869

SCHEMBL19544869

COCCOc1ccc(Nc2ncc(F)c(-n3cnc4ccc([N+](=O)[O-])cc43)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.43
▸ ITK Q08881 3/20 0.43
▸ BTK Q06187 3/20 0.43
▸ BRAF P15056 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ LYN P07948 1/20 0.43
▸ TEC P42680 1/20 0.43
▸ TXK P42681 1/20 0.43
▸ BMX P51813 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ CD69 Q07108 1/20 0.43
▸ SYK P43405 2/20 0.42
▸ CDK4 P11802 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CCND2 P30279 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ FGFR1 P11362 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL19544946 0.85 SYK (0.47) EGFRITKBTKBRAFJAK2
SCHEMBL19544866 0.84 EGFR (0.44) EGFRITKBTKBRAFJAK2
SCHEMBL19544619 0.84 MAPT (0.44) BRAFCDK4CCND1CCND2CCND3
SCHEMBL19544624 0.81 EGFR (0.65) EGFRITKBTKJAK2LYN
SCHEMBL25060367 0.79 EGFR (0.44) EGFRITKBTKBRAFJAK2
SCHEMBL22909361 0.78 SYK (0.61) EGFRITKBTKJAK2LYN
SCHEMBL29729053 0.78 SYK (0.61) EGFRITKBTKJAK2LYN
SCHEMBL17242449 0.76 EGFR (0.43) EGFRITKBTKBRAFJAK2
SCHEMBL23409145 0.76 SYK (0.68) EGFRITKBTKJAK2LYN
SCHEMBL29729047 0.76 SYK (0.68) EGFRITKBTKJAK2LYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662174-B2 BTK inhibitor HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-05-26 — — US disclosed
EP-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 — — EP disclosed
US-20170313683-A1 BTK INHIBITOR HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2017-11-02 — — 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-10662174-B2 BTK inhibitor BTK, SYK, LYN EGFR 596/4885ITK 178/4885BTK 1/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN EGFR 596/4885ITK 178/4885BTK 1/4885

“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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