SCHEMBL2944896

SCHEMBL2944896

CNc1ncc(N)c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
MAP4K4 O95819 1/20 0.39
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
GRM5 P41594 1/20 0.34
AURKA O14965 1/20 0.34
TTK P33981 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
PDPK1 O15530 1/20 0.33
NOS1 P29475 1/20 0.33
EGFR P00533 1/20 0.33
UHRF1 Q96T88 1/20 0.32
MERTK Q12866 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
SCHEMBL12638744 0.80 MAP4K4 (0.38) MAP4K4P2RX3P2RX2GRM5AURKA
SCHEMBL24655821 0.80 MAP4K4 (0.38) MAP4K4P2RX3P2RX2GRM5AURKA
SCHEMBL12876567 0.80 LRRK2 (0.39) MAP4K4P2RX3P2RX2GRM5AURKA
SCHEMBL10998467 0.78 MAP4K4 (0.37) RAB9AMEN1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL1521798 0.78 LRRK2 (0.38) MAP4K4P2RX3P2RX2GRM5AURKA
SCHEMBL4891191 0.75 DHFR (0.45) P2RX3P2RX2NOS1DHFR
SCHEMBL31725453 0.74 AURKA (0.54) AURKAAURKBCDK8
SCHEMBL31725454 0.74 AURKA (0.54) AURKAAURKBCDK8
SCHEMBL13181269 0.74 P2RX3 (0.35) MAP4K4P2RX3P2RX2GRM5AURKA
SCHEMBL2789966 0.72 MERTK (0.33) MAP4K4MERTK

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-1928844-B1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-04-23 EP disclosed
EP-1928844-B1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-04-23 EP disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
EP-1928844-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2008-06-11 EP disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
WO-2007022380-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-02-22 WO disclosed
WO-2007022380-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-02-22 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 (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-20070072862-A1 Bis-aryl amide compounds and methods of use LCK, BTK, IRAK1 RAB9A 2344/4885MEN1 3035/4885ALDH1A1 1676/4885
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE LCK, BTK, IRAK1 RAB9A 2344/4885MEN1 3035/4885ALDH1A1 1676/4885

“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.