SCHEMBL4091659

SCHEMBL4091659

CNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(OC(C)C)cc3)c2C)cn2ccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.51
MAPT P10636 5/20 0.50
TP53 P04637 2/20 0.50
KDM4E B2RXH2 1/20 0.46
RAF1 P04049 3/20 0.40
BRAF P15056 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
TMIGD3 P0DMS9 2/20 0.39
MAPK14 Q16539 1/20 0.39
SMO Q99835 1/20 0.39
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4090496 0.91 BTK (0.52) BTKMAPTKDM4EGAAALDH1A1
SCHEMBL4091778 0.89 BTK (0.51) BTKMAPTTP53GAAALDH1A1
SCHEMBL13771354 0.88 BTK (0.54) BTKMAPTTP53RAF1BRAF
SCHEMBL13821341 0.88 BTK (0.54) BTKMAPTTP53RAF1BRAF
SCHEMBL4091723 0.88 BTK (0.52) BTKMAPTHDAC6NPSR1TDP1
SCHEMBL4081148 0.86 BTK (0.55) BTKMAPTTP53RAF1BRAF
SCHEMBL2999693 0.86 BTK (0.65) BTKGAASMN1; SMN2MAPK1NPC1
SCHEMBL4080570 0.85 BTK (0.52) BTKHDAC6
SCHEMBL4095817 0.85 BTK (0.58) BTKRAF1BRAFHDAC6
SCHEMBL4087271 0.83 BTK (0.55) BTKRAF1BRAFHDAC6

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 1/4885MAPT 4151/4885TP53 2098/4885

“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.