SCHEMBL19544630

SCHEMBL19544630

CCOC(=O)c1c(C#N)c(-c2ccc(Oc3ccccc3)cc2)nn1C[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.45
▸ EGFR P00533 7/20 0.45
▸ LCK P06239 7/20 0.45
▸ ITK Q08881 6/20 0.45
▸ JAK3 P52333 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41

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
SCHEMBL19544659 0.81 BTK (0.55) BTKEGFRLCKITK
SCHEMBL19544647 0.81 BTK (0.55) BTKEGFRLCKITK
SCHEMBL19544718 0.81 BTK (0.55) BTKEGFRLCKITK
SCHEMBL15472753 0.80 BTK (0.59) BTKEGFRLCKITKJAK3
SCHEMBL19544568 0.79 BTK (0.59) BTKEGFRLCK
SCHEMBL19544611 0.79 BTK (0.59) BTKEGFRLCK
SCHEMBL19544728 0.79 BTK (0.54) BTKEGFRLCKITK
SCHEMBL19544882 0.77 BTK (0.41) BTKEGFRLCKITKJAK3
SCHEMBL19544559 0.76 KMT2A (0.43) BTKEGFRKMT2A
SCHEMBL19544717 0.76 BTK (0.47) BTK

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 BTK 1/4885EGFR 596/4885LCK 4/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN BTK 1/4885EGFR 596/4885LCK 4/4885

“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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