SCHEMBL4089918

SCHEMBL4089918

Cc1c(NC(=O)c2ccc(N(C)C)cc2)cccc1-c1cc(NC(=O)NCCCN2CCN(C)CC2)c2nccn2c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.48
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EGFR P00533 1/20 0.40
BMX P51813 1/20 0.40
JAK3 P52333 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CCR3 P51677 1/20 0.39
LCK P06239 1/20 0.39

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
SCHEMBL4095443 0.93 BTK (0.55) BTKKDM4EEGFRBMXJAK3
SCHEMBL4081322 0.91 BTK (0.59) BTKKMT2AKDM4EHSD17B10
SCHEMBL4086332 0.89 BTK (0.48) BTKEGFRBMXJAK3PDCD1
SCHEMBL4095924 0.87 BTK (0.49) BTKEGFRBMXJAK3PDCD1
SCHEMBL4096542 0.86 BTK (0.55) BTKEGFRBMXJAK3
SCHEMBL4092048 0.84 BTK (0.58) BTK
SCHEMBL4086254 0.84 BTK (0.55) BTKPDCD1CD274
SCHEMBL4080570 0.83 BTK (0.52) BTKEGFRBMXJAK3
SCHEMBL4081138 0.80 BTK (0.58) BTK
SCHEMBL4080694 0.79 BTK (0.49) BTKKMT2APDCD1CD274LCK

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 1/4885KMT2A 1922/4885KDM4E 738/4885

“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.