SCHEMBL13835480

SCHEMBL13835480

N#Cc1cn[nH]c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.35
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
METAP2 P50579 1/20 0.33
KCNN4 O15554 1/20 0.32
GAA P10253 1/20 0.32
PTGES O14684 1/20 0.31
VNN1 O95497 1/20 0.31
AR P10275 1/20 0.31
KDR P35968 2/20 0.31
EGFR P00533 1/20 0.31
PRKDC P78527 1/20 0.31
PLK4 O00444 1/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
CHUK O15111 1/20 0.31
ROCK2 O75116 1/20 0.31
CHEK2 O96017 1/20 0.31
INSR P06213 1/20 0.31

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
SCHEMBL6558387 0.71 KIF11 (0.38) KCNN4SCN4A
SCHEMBL31518957 0.70 PLK4 (0.41) ALDH1A1GAAVNN1KDRPLK4
SCHEMBL13834821 0.69 HPGD (0.33) ALDH1A1KCNN4CHUKKDM4ELRRK2
SCHEMBL10624980 0.69
SCHEMBL12501373 0.69
SCHEMBL20539675 0.67 HPGD (0.41) ALDH1A1KCNN4KDM4E
SCHEMBL14382103 0.65 GAA (0.39) GAA
SCHEMBL5148619 0.64 CYP11B2 (0.36) ALDH1A1KCNN4KDM4EL3MBTL1
SCHEMBL16047276 0.62 CTSK (0.44) ALDH1A1GAAAURKAROCK2CDK1
SCHEMBL6557364 0.62 KCNN4 (0.30) KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709997-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
CN-103582637-B Tyrosine kinase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2015-08-12 CN disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
EP-2709997-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2014-03-26 EP disclosed
WO-2012156334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 WO 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 TRPA1 3446/4885ALDH1A1 3540/4885NPSR1 3984/4885

“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.