SCHEMBL19544866

SCHEMBL19544866

COCCOc1ccc(Nc2ncc(F)c(-n3ncc4ccc([N+](=O)[O-])cc43)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.44
▸ ITK Q08881 3/20 0.44
▸ BTK Q06187 3/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CCND1 P24385 1/20 0.44
▸ CCND2 P30279 1/20 0.44
▸ CCND3 P30281 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ LYN P07948 1/20 0.44
▸ TEC P42680 1/20 0.44
▸ TXK P42681 1/20 0.44
▸ BMX P51813 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ CD69 Q07108 1/20 0.44
▸ SYK P43405 3/20 0.42
▸ KDR P35968 1/20 0.41
▸ BRAF P15056 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CCNE2 O96020 1/20 0.40
▸ CCNE1 P24864 1/20 0.40

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
SCHEMBL19544867 0.85 SYK (0.48) EGFRITKBTKCDK4CCND1
SCHEMBL19544870 0.84 CDK4 (0.43) EGFRITKBTKCDK4CCND1
SCHEMBL19544869 0.84 EGFR (0.43) EGFRITKBTKCDK4CCND1
SCHEMBL19544868 0.81 EGFR (0.66) EGFRITKBTKJAK2LYN
SCHEMBL25060367 0.79 EGFR (0.44) EGFRITKBTKCDK4CCND1
SCHEMBL29729053 0.79 SYK (0.61) EGFRITKBTKJAK2LYN
SCHEMBL22909361 0.79 SYK (0.61) EGFRITKBTKJAK2LYN
SCHEMBL17242449 0.76 EGFR (0.43) EGFRITKBTKCDK4CCND1
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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.

Send feedback