SCHEMBL4086228

SCHEMBL4086228

C[C@H](CO)NC(=O)Cc1cccc(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c3nccn3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.45
SYK P43405 8/20 0.45
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
CLK2 P49760 1/20 0.44
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
SRC P12931 1/20 0.42
TYK2 P29597 1/20 0.40
FYN P06241 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
SCHEMBL4084672 1.00 BTK (0.45) BTKSYKKDM4ERAB9ACLK2
SCHEMBL4091061 0.94 BTK (0.45) BTKSYKKDM4ERAB9ACLK2
SCHEMBL4096779 0.94 BTK (0.47) BTKSYKKDM4ERAB9ACLK2
SCHEMBL4080586 0.93 BTK (0.44) BTKSYKKDM4ERAB9ACLK2
SCHEMBL4085952 0.93 BTK (0.44) BTKSYKKDM4ERAB9ACLK2
SCHEMBL4086185 0.91 BTK (0.46) BTKSYKKDM4ERAB9ACLK2
SCHEMBL4094704 0.90 BTK (0.44) BTKSYKKDM4ERAB9ACLK2
SCHEMBL4091473 0.90 BTK (0.46) BTKSYKKDM4ERAB9ACLK2
SCHEMBL4085814 0.89 BTK (0.45) BTKSYKKDM4ERAB9ACLK2
SCHEMBL4085821 0.89 BTK (0.45) BTKSYKKDM4ERAB9ACLK2

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 8 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
WO-2009077334-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO 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 1/4885SYK 2/4885KDM4E 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.