SCHEMBL19986670

SCHEMBL19986670

C=CC(=O)N1CCC[C@@H](c2c(Cl)c(-c3ccc(Oc4ccc(Cl)c(Cl)c4)c(C)c3)c3c(N)ncnn23)C1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.86
ERBB2 P04626 11/20 0.48
EGFR P00533 6/20 0.48

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
SCHEMBL16788366 1.00 BTK (0.86) BTKERBB2EGFR
SCHEMBL16440887 0.97 BTK (0.80) BTKERBB2EGFR
SCHEMBL166896 0.93 BTK (1.00) BTKERBB2EGFR
SCHEMBL19993798 0.93 BTK (1.00) BTKERBB2EGFR
SCHEMBL19728633 0.84 BTK (0.62) BTKERBB2EGFR
SCHEMBL122280 0.84 BTK (1.00) BTKEGFR
SCHEMBL18905245 0.84 BTK (0.61) BTKERBB2EGFR
SCHEMBL169757 0.84 BTK (0.85) BTKERBB2EGFR
SCHEMBL124181 0.83 BTK (0.82) BTKERBB2EGFR
SCHEMBL174843 0.82 BTK (0.80) BTKEGFR

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-20180078555-A1 METHODS OF TREATING AND PREVENTING GRAFT VERSUS HOST DISEASE PHARMACYCLICS, INC. 2018-03-22 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-20180078555-A1 METHODS OF TREATING AND PREVENTING GRAFT VERSUS HOST DISEASE BLK, DCK, CILK1 BTK 8/4885ERBB2 1467/4885EGFR 2307/4885

“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.