SCHEMBL15720838

SCHEMBL15720838

Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc[nH]c(=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 1.00
DHPS P49366 3/20 0.55
NR1H4 Q96RI1 3/20 0.53
PPARG P37231 2/20 0.53
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
NPC1 O15118 2/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KIT P10721 1/20 0.45
SRC P12931 1/20 0.45
FLT3 P36888 1/20 0.45

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
SCHEMBL171471 0.81 BTK (0.67) BTKDHPSNR1H4PPARGRAB9A
SCHEMBL18752765 0.81 BTK (0.67) BTKDHPSNR1H4PPARGRAB9A
SCHEMBL15720667 0.75 BTK (0.60) BTKNR1H4PPARGRAB9ASMN1; SMN2
SCHEMBL16336928 0.75 BTK (1.00) BTK
SCHEMBL3870962 0.75 BTK (0.70) BTKDHPSNR1H4PPARGRAB9A
SCHEMBL1321853 0.74 BTK (0.70) BTK
SCHEMBL1038341 0.74 BTK (0.70) BTK
SCHEMBL14646782 0.74 BTK (0.61) BTKDHPSNR1H4PPARGKIT
SCHEMBL15964588 0.74 BTK (0.66) BTKDHPS
SCHEMBL7295331 0.74 RAB9A (0.67) BTKDHPSNR1H4PPARGRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291525-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US claimed
EP-2920162-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2015-09-23 EP claimed
WO-2014076104-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-05-22 WO claimed
EP-2920162-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
EP-2920162-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
US-9458105-B2 Inhibitors of Bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-9458105-B2 Inhibitors of Bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-9458105-B2 Inhibitors of Bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-20150291525-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US disclosed
US-20150291525-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US disclosed
US-20150291525-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US disclosed
EP-2920162-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2015-09-23 EP disclosed
WO-2014076104-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-05-22 WO disclosed
WO-2014076104-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-05-22 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-20150291525-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN BTK 1/4885DHPS 4512/4885NR1H4 4485/4885

“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.