SCHEMBL13835403

SCHEMBL13835403

N#Cc1c[nH]c2nc(-c3ccccc3F)ccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHUK O15111 5/20 0.53
LRRK2 Q5S007 6/20 0.47
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TGFBR1 P36897 1/20 0.40
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
AR P10275 1/20 0.36
MAP4K1 Q92918 1/20 0.36
NFATC1 O95644 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
IDO1 P14902 1/20 0.36
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL13975665 0.86 CHUK (0.41) CHUKCYP1A2CYP3A4TGFBR1AR
SCHEMBL13835385 0.83 LRRK2 (0.53) CHUKLRRK2IMPDH2IMPDH1AR
SCHEMBL4209183 0.73 CYP11B1 (0.49) CHUKLRRK2CYP11B1CYP11B2GSK3B
SCHEMBL25395833 0.72 MPL (0.50) CHUKCYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL25394131 0.72 L3MBTL1 (0.48) CHUKCYP1A2CYP11B1CYP11B2MAP4K1
SCHEMBL3827956 0.69 LRRK2 (0.53) CHUKLRRK2IMPDH2IMPDH1DYRK1A
SCHEMBL21274452 0.69 LRRK2 (0.53) CHUKLRRK2IMPDH2IMPDH1DYRK1A
SCHEMBL13834754 0.69 LRRK2 (0.53) CHUKLRRK2IMPDH2IMPDH1DYRK1A
SCHEMBL16417049 0.68 CYP1A2 (0.49) CYP1A2CYP3A4TGFBR1MAP4K1ALOX5AP
SCHEMBL20910479 0.67 ALOX5AP (0.46) CHUKCYP11B1CYP11B2ALOX5APFEN1

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 11 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
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US 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
CN-103582637-A Tyrosine Kinase Inhibitors HOFFMANN LA ROCHE 2014-02-12 CN disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 US disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 US disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 US disclosed
WO-2012156334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 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-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CHUK 12/4885LRRK2 952/4885IMPDH2 3449/4885

“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.