SCHEMBL16075264

SCHEMBL16075264

CN(C)C/C=C/C(=O)N1CC2(C1)CN(C(C)(C)C)C2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.36
EGFR P00533 1/20 0.32
CDK2 P24941 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
JAK3 P52333 2/20 0.30

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
SCHEMBL16075245 0.89 BTK (0.37) BTKEGFRCDK2CDK7CDK9
SCHEMBL16127676 0.83 BTK (0.38) BTKEGFRJAK3
SCHEMBL16075276 0.80 CDK2 (0.36) BTKEGFRCDK2CDK7CDK9
SCHEMBL16074970 0.80 BTK (0.41) BTKCDK2CDK7CDK9JAK3
SCHEMBL16078786 0.79 BTK (0.37) BTKEGFRJAK3
SCHEMBL16075243 0.78 CRHBP (0.31)
SCHEMBL16122877 0.78 BTK (0.43) BTKCDK2CDK7CDK9JAK3
SCHEMBL19909705 0.75 BTK (0.38) BTKJAK3
SCHEMBL16075017 0.74 BTK (0.41) BTKEGFRCDK7CDK9JAK3
SCHEMBL16075006 0.74 BTK (0.44) BTKCDK2CDK7CDK9JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895750-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-25 US disclosed
US-20140275012-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 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-20140275012-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK BTK 1/4885EGFR 307/4885CDK2 143/4885

“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.