SCHEMBL4084618

SCHEMBL4084618

CCN1CCN(C(=O)Cc2cccc(-c3cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c4nccn4c3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.46
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
SYK P43405 9/20 0.44
SRC P12931 1/20 0.44
CLK2 P49760 1/20 0.43
CCND1 P24385 4/20 0.42
CDK6 Q00534 4/20 0.42
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
PRKAA2 P54646 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
SCHEMBL4095175 0.94 BTK (0.48) BTKKDM4ERAB9ASYKSRC
SCHEMBL4090973 0.93 BTK (0.47) BTKKDM4ERAB9ASYKSRC
SCHEMBL4095617 0.92 BTK (0.46) BTKKDM4ERAB9ASYKSRC
SCHEMBL4084877 0.90 BTK (0.46) BTKKDM4ERAB9ASYKSRC
SCHEMBL4085828 0.90 BTK (0.45) BTKKDM4ERAB9ASYKSRC
SCHEMBL4091484 0.89 BTK (0.44) BTKKDM4ERAB9ASYKSRC
SCHEMBL4091075 0.89 BTK (0.44) BTKKDM4ERAB9ASYKSRC
SCHEMBL13765548 0.88 BTK (0.48) BTKKDM4ERAB9ASYKSRC
SCHEMBL4090363 0.88 BTK (0.44) BTKKDM4ERAB9ASYKSRC
SCHEMBL4094950 0.88 BTK (0.46) BTKKDM4ERAB9ASYKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US claimed
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 1/4885KDM4E 738/4885RAB9A 1472/4885

“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.