SCHEMBL4095443

SCHEMBL4095443

Cc1c(NC(=O)c2ccc(N(C)C)cc2)cccc1-c1cc(NC(=O)NCCCN2CCOCC2)c2nccn2c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.55
JAK3 P52333 2/20 0.46
EGFR P00533 1/20 0.46
BMX P51813 1/20 0.46
MAPK14 Q16539 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LCK P06239 2/20 0.43
KDR P35968 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 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
SCHEMBL4089918 0.93 BTK (0.48) BTKJAK3EGFRBMXLCK
SCHEMBL4086332 0.88 BTK (0.48) BTKJAK3EGFRBMXPDCD1
SCHEMBL4095924 0.86 BTK (0.49) BTKJAK3EGFRBMXPDCD1
SCHEMBL4096542 0.85 BTK (0.55) BTKJAK3EGFRBMXALDH1A1
SCHEMBL4081322 0.84 BTK (0.59) BTKALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL4092048 0.83 BTK (0.58) BTKALDH1A1GAASMN1; SMN2
SCHEMBL4080570 0.82 BTK (0.52) BTKJAK3EGFRBMX
SCHEMBL4086254 0.81 BTK (0.55) BTKALDH1A1GAASMN1; SMN2PDCD1
SCHEMBL4081138 0.79 BTK (0.58) BTK
SCHEMBL4080694 0.78 BTK (0.49) BTKLCKKDRPDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US claimed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN BTK 1/4885JAK3 105/4885EGFR 898/4885

“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.