SCHEMBL6561965

SCHEMBL6561965

Cc1cc(I)ccc1NN

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
MAP2K1 Q02750 4/20 0.36
GAA P10253 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTK2 Q05397 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTPRC P08575 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPRA P18433 1/20 0.32
PTPRB P23467 1/20 0.32
PTPRE P23469 1/20 0.32
PTPN6 P29350 1/20 0.32

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
SCHEMBL20375230 0.79 IDO1 (0.41) IDO1MAP2K1GAARAPGEF4MEN1
SCHEMBL20375142 0.79 IDO1 (0.41) IDO1MAP2K1GAARAPGEF4MEN1
SCHEMBL23964485 0.77 IDO1 (0.40) IDO1MAP2K1GAARAPGEF4MEN1
SCHEMBL1010790 0.76 RAPGEF4 (0.56) GAARAPGEF4MEN1KMT2ATDP1
SCHEMBL29401670 0.76 RAPGEF4 (0.56) GAARAPGEF4MEN1KMT2ATDP1
SCHEMBL11679727 0.76 PTPRC (0.33) IDO1MAP2K1PTPRCPTPN2PTPN1
Hydrochloric Acid SCHEMBL30977785 0.74 RAPGEF4 (0.54) GAARAPGEF4MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL1012671 0.74 RAPGEF4 (0.54) GAARAPGEF4MEN1KMT2ATDP1
SCHEMBL16782417 0.74 ALDH1A1 (0.54) GAAMEN1KMT2ATDP1CYP1A2
SCHEMBL13783444 0.74 CYP3A4 (0.46) IDO1MAP2K1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080099-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2018-04-11 EP disclosed
EP-3080099-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2018-04-11 EP disclosed
US-9556150-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-01-31 US disclosed
US-9556150-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-01-31 US disclosed
US-9556150-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-01-31 US disclosed
US-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-27 US disclosed
US-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-27 US disclosed
US-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-27 US disclosed
EP-3080099-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-10-19 EP disclosed
CN-105793252-A Inhibitors of bruton's tyrosine kinase 豪夫迈·罗氏有限公司 2016-07-20 CN disclosed
WO-2015086642-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2015-06-18 WO disclosed
WO-2015086642-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2015-06-18 WO disclosed
US-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 US disclosed
EP-1414790-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-05-06 EP disclosed
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 WO disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 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 (2 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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions NAT1, CYP3A5, CYP3A7 IDO1 175/4885MAP2K1 4661/4885GAA 454/4885
US-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN IDO1 505/4885MAP2K1 651/4885GAA 637/4885

“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.