SCHEMBL19993798

SCHEMBL19993798

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 1.00
ITK Q08881 2/20 0.46
TNK2 Q07912 1/20 0.44
EGFR P00533 3/20 0.43
ERBB2 P04626 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
SCHEMBL166896 1.00 BTK (1.00) BTKITKTNK2EGFRERBB2
SCHEMBL19986670 0.93 BTK (0.86) BTKEGFRERBB2
SCHEMBL16788366 0.93 BTK (0.86) BTKEGFRERBB2
SCHEMBL122280 0.91 BTK (1.00) BTKITKTNK2EGFR
SCHEMBL124181 0.90 BTK (0.82) BTKITKTNK2EGFRERBB2
SCHEMBL124552 0.89 BTK (0.80) BTKTNK2EGFR
SCHEMBL174843 0.89 BTK (0.80) BTKTNK2EGFR
SCHEMBL16440887 0.89 BTK (0.80) BTKITKEGFRERBB2
SCHEMBL122566 0.88 BTK (0.94) BTKITKTNK2EGFR
SCHEMBL19736258 0.88 BTK (0.78) BTKITKTNK2EGFR

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 8/4885ITK 28/4885TNK2 57/4885

“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.