SCHEMBL13964652

SCHEMBL13964652

O=c1c2ccccc2ccn1-c1cccc(Br)c1CO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.41
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOTUM Q6P988 1/20 0.35
POLB P06746 1/20 0.35
NLRP3 Q96P20 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ELANE P08246 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
TNF P01375 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13964648 0.84 ALDH1A1 (0.46) BTKTDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13964664 0.82 TNF (0.38) BTKALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL13526983 0.81 BTK (0.43) BTK
SCHEMBL13186857 0.80 BTK (0.51) BTK
SCHEMBL122227 0.79 BTK (0.46) BTKTDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL18199053 0.78 BTK (0.36) BTK
SCHEMBL13964654 0.75 CA1 (0.43) BTKTDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13964653 0.75 BTK (0.54) BTKTDP1MAPTKDM4E
SCHEMBL32667577 0.70 BTK (0.62) BTK
SCHEMBL22552462 0.70 ALDH1A1 (0.46) TDP1ALDH1A1MAPTSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 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-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN BTK 1/4885TDP1 231/4885ALDH1A1 3540/4885

“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.